REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1c7s_1_A DATA FIRST_RESID 28 DATA SEQUENCE DQQLVDQLSQ LKLNVKMLDN RAGENGVDcA ALGADWAScN RVLFTLSNDG DATA SEQUENCE QAIDGKDWVI YFHSPRQTLR VDNDQFKIAH LTGDLYKLEP TAKFSGFPAG DATA SEQUENCE KAVEIPVVAE YWQLFRNDFL PRWYATSGDA KPKMLANTDT ENLDQFVAPF DATA SEQUENCE TGDQWKRTKD DKNILMTPAS RFVSNADLQT LPAGALRGKI VPTPMQVKVH DATA SEQUENCE AQDADLRKGV ALDLSTLVKP AADVVSQRFA LLGVPVQTNG YPIKTDIQPG DATA SEQUENCE KFKGAMAVSG AYELKIGKKE AQVIGFDQAG VFYGLQSILS LVPSDGSGKI DATA SEQUENCE ATLDASDAPR FPYRGIFLDV ARNFHKKDAV LRLLDQMAAY KLNKFHFHLS DATA SEQUENCE DDEGWRIEIP GLPELTEVGG QRcHDLSETT cLLPQYGQGP DVYGGFFSRQ DATA SEQUENCE DYIDIIKYAQ ARQIEVIPEI DMPAHARAAV VSMEARYKKL HAAGKEQEAN DATA SEQUENCE EFRLVDQTDT SNTTSVQFFN RQSYLNPcLD SSQRFVDKVI GEIAQMHKEA DATA SEQUENCE GQPIKTWHFG GAEAKNIRLG AGYTDKAKPE PGKGIIDQSN EDKPWAKSQV DATA SEQUENCE cQTMIKEGKV ADMEHLPSYF GQEVSKLVKA HGIDRMQAWQ DGLKDAESSK DATA SEQUENCE AFATSRVGVN FWDTLYWGGF DSVNDWANKG YEVVVSNPDY VYMDFPYEVN DATA SEQUENCE PDERGYYWGT RFSDERKVFS FAPDNMPQNA ETSVDRDGNH FNAKSDKPWP DATA SEQUENCE GAYGLSAQLW SETQRTDPQM EYMIFPRALS VAERSWHRAG WEQDYRAGRE DATA SEQUENCE YKGGETHFVD TQALEKDWLR FANILGQREL AKLDKGGVAY RLPVPGARVA DATA SEQUENCE GGKLEANIAL PGLGIEYSTD GGKQWQRYDA KAKPAVSGEV QVRSVSPDGK DATA SEQUENCE RYSRAEKV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 28 D HA 0.000 nan 4.640 nan 0.000 0.175 28 D C 0.000 176.352 176.300 0.086 0.000 2.045 28 D CA 0.000 54.054 54.000 0.089 0.000 0.868 28 D CB 0.000 40.844 40.800 0.073 0.000 0.688 29 Q N -0.788 119.053 119.800 0.068 0.000 2.119 29 Q HA -0.080 4.259 4.340 -0.001 0.000 0.201 29 Q C 1.777 177.809 176.000 0.053 0.000 0.972 29 Q CA 1.996 57.835 55.803 0.060 0.000 0.847 29 Q CB -0.137 28.630 28.738 0.048 0.000 0.903 29 Q HN 0.435 nan 8.270 nan 0.000 0.433 30 Q N -0.409 119.423 119.800 0.053 0.000 2.135 30 Q HA -0.163 4.176 4.340 -0.001 0.000 0.204 30 Q C 2.003 178.033 176.000 0.049 0.000 0.981 30 Q CA 1.253 57.084 55.803 0.046 0.000 0.856 30 Q CB -0.281 28.485 28.738 0.047 0.000 0.902 30 Q HN 0.379 nan 8.270 nan 0.000 0.425 31 L N 0.066 121.332 121.223 0.071 0.000 2.027 31 L HA -0.117 4.222 4.340 -0.001 0.000 0.206 31 L C 2.249 179.141 176.870 0.038 0.000 1.074 31 L CA 1.334 56.220 54.840 0.077 0.000 0.745 31 L CB -0.736 41.408 42.059 0.143 0.000 0.898 31 L HN -0.082 nan 8.230 nan 0.000 0.433 32 V N 0.172 120.122 119.914 0.061 0.000 2.332 32 V HA -0.321 3.799 4.120 -0.001 0.000 0.248 32 V C 2.310 178.409 176.094 0.008 0.000 1.055 32 V CA 1.974 64.301 62.300 0.045 0.000 1.038 32 V CB -0.808 31.059 31.823 0.073 0.000 0.651 32 V HN 0.477 nan 8.190 nan 0.000 0.450 33 D N -0.476 119.932 120.400 0.014 0.000 2.092 33 D HA -0.195 4.444 4.640 -0.001 0.000 0.193 33 D C 2.333 178.617 176.300 -0.027 0.000 0.994 33 D CA 1.365 55.364 54.000 -0.000 0.000 0.828 33 D CB -0.310 40.496 40.800 0.010 0.000 0.963 33 D HN 0.506 nan 8.370 nan 0.000 0.450 34 Q N -0.129 119.653 119.800 -0.030 0.000 2.061 34 Q HA -0.118 4.221 4.340 -0.001 0.000 0.204 34 Q C 2.524 178.445 176.000 -0.131 0.000 0.984 34 Q CA 0.848 56.616 55.803 -0.057 0.000 0.846 34 Q CB -0.163 28.558 28.738 -0.029 0.000 0.902 34 Q HN 0.331 nan 8.270 nan 0.000 0.421 35 L N 0.498 121.618 121.223 -0.171 0.000 2.093 35 L HA -0.156 4.184 4.340 -0.001 0.000 0.208 35 L C 2.623 179.366 176.870 -0.211 0.000 1.085 35 L CA 1.197 55.861 54.840 -0.294 0.000 0.755 35 L CB -0.539 41.320 42.059 -0.333 0.000 0.904 35 L HN 0.271 nan 8.230 nan 0.000 0.435 36 S N -0.727 114.906 115.700 -0.111 0.000 2.442 36 S HA -0.219 4.251 4.470 -0.001 0.000 0.236 36 S C 1.682 176.230 174.600 -0.088 0.000 1.007 36 S CA 0.900 59.059 58.200 -0.068 0.000 0.965 36 S CB -0.250 62.938 63.200 -0.021 0.000 0.773 36 S HN 0.540 nan 8.310 nan 0.000 0.504 37 Q N 0.296 120.031 119.800 -0.107 0.000 2.319 37 Q HA 0.397 4.736 4.340 -0.001 0.000 0.202 37 Q C -0.265 175.651 176.000 -0.140 0.000 0.896 37 Q CA -0.251 55.492 55.803 -0.099 0.000 0.942 37 Q CB 0.124 28.820 28.738 -0.071 0.000 1.083 37 Q HN 0.538 nan 8.270 nan 0.000 0.510 38 L N 1.761 122.857 121.223 -0.213 0.000 2.456 38 L HA 0.100 4.440 4.340 -0.001 0.000 0.272 38 L C 0.242 176.979 176.870 -0.222 0.000 1.189 38 L CA 0.147 54.824 54.840 -0.272 0.000 0.846 38 L CB 0.346 42.133 42.059 -0.454 0.000 1.111 38 L HN -0.030 nan 8.230 nan 0.000 0.475 39 K N 3.803 124.088 120.400 -0.191 0.000 2.240 39 K HA 0.399 4.718 4.320 -0.001 0.000 0.271 39 K C -0.964 175.510 176.600 -0.211 0.000 1.018 39 K CA -0.785 55.402 56.287 -0.167 0.000 0.874 39 K CB 1.259 33.697 32.500 -0.103 0.000 1.098 39 K HN 0.362 nan 8.250 nan 0.000 0.458 40 L N 3.982 125.035 121.223 -0.284 0.000 2.375 40 L HA 0.371 4.710 4.340 -0.001 0.000 0.271 40 L C -0.787 175.963 176.870 -0.200 0.000 1.107 40 L CA 0.145 54.755 54.840 -0.384 0.000 0.806 40 L CB 1.126 42.738 42.059 -0.744 0.000 1.146 40 L HN 0.800 nan 8.230 nan 0.000 0.447 41 N N 3.510 122.102 118.700 -0.180 0.000 2.295 41 N HA 0.421 5.160 4.740 -0.001 0.000 0.293 41 N C -1.985 173.477 175.510 -0.080 0.000 1.040 41 N CA -0.437 52.561 53.050 -0.087 0.000 0.840 41 N CB 2.122 40.571 38.487 -0.064 0.000 1.468 41 N HN 0.440 nan 8.380 nan 0.000 0.478 42 V N 3.128 122.995 119.914 -0.077 0.000 2.448 42 V HA 0.437 4.557 4.120 -0.001 0.000 0.295 42 V C -0.160 175.811 176.094 -0.205 0.000 1.025 42 V CA -0.645 61.589 62.300 -0.110 0.000 0.859 42 V CB 1.440 33.138 31.823 -0.209 0.000 0.988 42 V HN 0.612 nan 8.190 nan 0.000 0.431 43 K N 4.562 124.853 120.400 -0.181 0.000 2.507 43 K HA 0.581 4.900 4.320 -0.001 0.000 0.252 43 K C -0.614 175.885 176.600 -0.169 0.000 0.943 43 K CA -0.884 55.313 56.287 -0.149 0.000 0.808 43 K CB 1.651 34.093 32.500 -0.096 0.000 1.142 43 K HN 0.635 nan 8.250 nan 0.000 0.426 44 M N 5.570 125.069 119.600 -0.169 0.000 2.238 44 M HA 0.128 4.607 4.480 -0.001 0.000 0.350 44 M C -0.665 175.520 176.300 -0.192 0.000 1.321 44 M CA 0.352 55.539 55.300 -0.187 0.000 1.097 44 M CB 0.331 32.627 32.600 -0.507 0.000 1.713 44 M HN 0.856 nan 8.290 nan 0.000 0.455 45 L N 1.459 122.601 121.223 -0.136 0.000 2.445 45 L HA 0.348 4.687 4.340 -0.001 0.000 0.207 45 L C 0.036 176.840 176.870 -0.110 0.000 1.053 45 L CA 0.200 54.970 54.840 -0.117 0.000 0.841 45 L CB 0.201 42.204 42.059 -0.093 0.000 1.074 45 L HN 0.639 nan 8.230 nan 0.000 0.479 46 D N -1.048 119.301 120.400 -0.086 0.000 2.452 46 D HA 0.108 4.747 4.640 -0.001 0.000 0.226 46 D C -0.269 176.018 176.300 -0.022 0.000 1.366 46 D CA -0.166 53.794 54.000 -0.066 0.000 0.986 46 D CB 0.850 41.622 40.800 -0.046 0.000 1.420 46 D HN -0.223 nan 8.370 nan 0.000 0.583 47 N N 1.895 120.579 118.700 -0.027 0.000 2.467 47 N HA 0.067 4.806 4.740 -0.001 0.000 0.184 47 N C 0.125 175.704 175.510 0.116 0.000 1.106 47 N CA 0.539 53.634 53.050 0.074 0.000 0.892 47 N CB 0.349 38.876 38.487 0.067 0.000 0.969 47 N HN 0.387 nan 8.380 nan 0.000 0.454 48 R N -0.189 120.338 120.500 0.045 0.000 2.881 48 R HA 0.361 4.700 4.340 -0.001 0.000 0.331 48 R C 0.812 177.134 176.300 0.037 0.000 1.207 48 R CA -0.197 55.936 56.100 0.054 0.000 1.265 48 R CB 0.613 30.907 30.300 -0.010 0.000 1.351 48 R HN -0.054 nan 8.270 nan 0.000 0.613 49 A N 0.550 123.397 122.820 0.044 0.000 1.978 49 A HA -0.115 4.204 4.320 -0.001 0.000 0.220 49 A C 2.108 179.705 177.584 0.022 0.000 1.170 49 A CA 1.942 53.991 52.037 0.020 0.000 0.636 49 A CB -0.469 18.538 19.000 0.012 0.000 0.810 49 A HN 0.554 nan 8.150 nan 0.000 0.448 50 G N -0.638 108.188 108.800 0.043 0.000 2.443 50 G HA2 -0.133 3.826 3.960 -0.001 0.000 0.219 50 G HA3 -0.133 3.826 3.960 -0.001 0.000 0.219 50 G C 1.314 176.232 174.900 0.032 0.000 1.131 50 G CA 0.831 45.956 45.100 0.041 0.000 0.775 50 G HN 0.691 nan 8.290 nan 0.000 0.547 51 E N 0.409 120.624 120.200 0.026 0.000 2.371 51 E HA 0.009 4.358 4.350 -0.001 0.000 0.194 51 E C 0.686 177.285 176.600 -0.001 0.000 1.012 51 E CA 0.169 56.575 56.400 0.010 0.000 0.860 51 E CB 0.156 29.855 29.700 -0.002 0.000 0.811 51 E HN 0.269 nan 8.360 nan 0.000 0.502 52 N N -0.276 118.422 118.700 -0.003 0.000 2.389 52 N HA 0.114 4.854 4.740 -0.001 0.000 0.260 52 N C 0.572 176.077 175.510 -0.007 0.000 1.191 52 N CA 0.602 53.646 53.050 -0.010 0.000 0.885 52 N CB 1.503 39.979 38.487 -0.019 0.000 1.162 52 N HN 0.246 nan 8.380 nan 0.000 0.512 53 G N -0.440 108.359 108.800 -0.001 0.000 2.345 53 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.218 53 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.218 53 G C 0.127 175.027 174.900 -0.000 0.000 1.058 53 G CA -0.068 45.031 45.100 -0.001 0.000 0.632 53 G HN 0.214 nan 8.290 nan 0.000 0.508 54 V N 2.480 122.393 119.914 -0.001 0.000 2.644 54 V HA 0.260 4.380 4.120 -0.001 0.000 0.305 54 V C 0.742 176.837 176.094 0.001 0.000 1.053 54 V CA 0.919 63.218 62.300 -0.003 0.000 1.186 54 V CB 1.398 33.218 31.823 -0.006 0.000 0.895 54 V HN 0.442 nan 8.190 nan 0.000 0.490 55 D N 3.886 124.284 120.400 -0.003 0.000 2.558 55 D HA 0.135 4.774 4.640 -0.001 0.000 0.221 55 D C 1.004 177.300 176.300 -0.007 0.000 1.143 55 D CA -0.155 53.845 54.000 -0.001 0.000 1.010 55 D CB 0.111 40.908 40.800 -0.003 0.000 1.068 55 D HN 0.629 nan 8.370 nan 0.000 0.511 56 c N 2.171 120.769 118.600 -0.003 0.000 2.411 56 c HA -0.100 4.469 4.570 -0.001 0.000 0.279 56 c C 2.682 176.758 174.090 -0.023 0.000 1.288 56 c CA 0.816 57.136 56.329 -0.016 0.000 1.764 56 c CB -1.062 41.445 42.510 -0.005 0.000 1.974 56 c HN 0.731 nan 8.230 nan 0.000 0.498 57 A N 0.931 123.745 122.820 -0.010 0.000 1.883 57 A HA 0.001 4.320 4.320 -0.001 0.000 0.217 57 A C 2.413 179.987 177.584 -0.017 0.000 1.186 57 A CA 2.197 54.224 52.037 -0.015 0.000 0.624 57 A CB -0.999 17.998 19.000 -0.006 0.000 0.822 57 A HN 0.592 nan 8.150 nan 0.000 0.444 58 A N -0.498 122.313 122.820 -0.015 0.000 1.972 58 A HA -0.001 4.318 4.320 -0.001 0.000 0.219 58 A C 1.945 179.515 177.584 -0.023 0.000 1.169 58 A CA 1.413 53.440 52.037 -0.017 0.000 0.635 58 A CB -0.543 18.449 19.000 -0.014 0.000 0.810 58 A HN 0.488 nan 8.150 nan 0.000 0.446 59 L N -1.183 120.024 121.223 -0.027 0.000 2.599 59 L HA 0.169 4.508 4.340 -0.001 0.000 0.230 59 L C 1.587 178.432 176.870 -0.042 0.000 1.141 59 L CA 0.477 55.295 54.840 -0.036 0.000 0.877 59 L CB -0.366 41.668 42.059 -0.042 0.000 1.009 59 L HN 0.581 nan 8.230 nan 0.000 0.447 60 G N 0.356 109.141 108.800 -0.026 0.000 2.137 60 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.237 60 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.237 60 G C 0.328 175.255 174.900 0.045 0.000 1.002 60 G CA 0.027 45.130 45.100 0.005 0.000 0.702 60 G HN 0.489 nan 8.290 nan 0.000 0.515 61 A N 0.141 122.935 122.820 -0.043 0.000 2.409 61 A HA 0.532 4.852 4.320 -0.001 0.000 0.267 61 A C 0.517 177.959 177.584 -0.237 0.000 1.127 61 A CA 0.395 52.344 52.037 -0.147 0.000 0.795 61 A CB 0.350 19.245 19.000 -0.175 0.000 1.061 61 A HN 0.526 nan 8.150 nan 0.000 0.502 62 D N 1.939 122.064 120.400 -0.459 0.000 2.581 62 D HA -0.060 4.579 4.640 -0.001 0.000 0.238 62 D C 0.172 176.301 176.300 -0.285 0.000 1.145 62 D CA 1.085 54.629 54.000 -0.760 0.000 0.866 62 D CB -0.294 40.110 40.800 -0.659 0.000 1.151 62 D HN 0.558 nan 8.370 nan 0.000 0.500 63 W N 1.946 123.087 121.300 -0.265 0.000 4.551 63 W HA -0.345 4.314 4.660 -0.002 0.000 0.343 63 W C 1.204 177.700 176.519 -0.038 0.000 1.269 63 W CA 0.256 57.548 57.345 -0.088 0.000 0.799 63 W CB -2.098 27.370 29.460 0.013 0.000 2.352 63 W HN 0.769 nan 8.180 nan 0.000 1.462 64 A N -0.617 122.231 122.820 0.047 0.000 2.704 64 A HA -0.124 4.195 4.320 -0.001 0.000 0.299 64 A C 0.559 178.195 177.584 0.087 0.000 1.507 64 A CA 1.567 53.630 52.037 0.045 0.000 0.776 64 A CB -1.638 17.404 19.000 0.070 0.000 1.027 64 A HN 0.630 nan 8.150 nan 0.000 0.475 65 S N -0.753 114.990 115.700 0.071 0.000 2.478 65 S HA 0.704 5.173 4.470 -0.001 0.000 0.312 65 S C 0.031 174.637 174.600 0.010 0.000 1.094 65 S CA -0.019 58.270 58.200 0.148 0.000 1.081 65 S CB 1.560 64.986 63.200 0.376 0.000 1.007 65 S HN 1.795 nan 8.310 nan 0.000 0.475 66 c N 2.080 120.717 118.600 0.062 0.000 3.288 66 c HA 0.892 5.461 4.570 -0.001 0.000 0.318 66 c C -1.163 172.967 174.090 0.066 0.000 1.356 66 c CA -1.260 55.072 56.329 0.005 0.000 1.359 66 c CB 0.621 43.106 42.510 -0.042 0.000 1.688 66 c HN 0.996 nan 8.230 nan 0.000 0.467 67 N N -0.087 118.642 118.700 0.050 0.000 2.229 67 N HA 0.746 5.485 4.740 -0.001 0.000 0.298 67 N C -1.490 174.032 175.510 0.021 0.000 1.114 67 N CA -0.831 52.261 53.050 0.070 0.000 0.776 67 N CB 1.278 39.849 38.487 0.139 0.000 1.501 67 N HN 0.788 nan 8.380 nan 0.000 0.474 68 R N 0.923 121.423 120.500 -0.000 0.000 2.393 68 R HA 0.677 5.016 4.340 -0.001 0.000 0.310 68 R C -1.089 175.174 176.300 -0.062 0.000 0.968 68 R CA -0.990 55.083 56.100 -0.045 0.000 0.867 68 R CB 1.793 32.061 30.300 -0.053 0.000 1.124 68 R HN 0.347 nan 8.270 nan 0.000 0.450 69 V N 3.564 123.401 119.914 -0.129 0.000 2.876 69 V HA 0.380 4.499 4.120 -0.001 0.000 0.312 69 V C -1.057 174.839 176.094 -0.330 0.000 1.085 69 V CA -1.020 61.167 62.300 -0.189 0.000 0.945 69 V CB 2.255 33.992 31.823 -0.143 0.000 1.017 69 V HN 0.484 nan 8.190 nan 0.000 0.428 70 L N 4.067 125.131 121.223 -0.265 0.000 2.287 70 L HA 0.665 5.004 4.340 -0.001 0.000 0.287 70 L C -1.221 175.560 176.870 -0.149 0.000 1.022 70 L CA 0.143 54.852 54.840 -0.217 0.000 0.814 70 L CB 0.757 42.748 42.059 -0.114 0.000 1.217 70 L HN 0.421 nan 8.230 nan 0.000 0.420 71 F N 3.064 122.959 119.950 -0.091 0.000 2.404 71 F HA 0.527 5.053 4.527 -0.002 0.000 0.354 71 F C 0.565 176.278 175.800 -0.146 0.000 1.122 71 F CA -0.748 57.166 58.000 -0.144 0.000 1.080 71 F CB 1.418 40.351 39.000 -0.112 0.000 1.131 71 F HN 0.353 nan 8.300 nan 0.000 0.471 72 T N 5.463 120.028 114.554 0.019 0.000 2.770 72 T HA 0.582 4.931 4.350 -0.001 0.000 0.283 72 T C -0.259 174.385 174.700 -0.093 0.000 0.988 72 T CA -0.484 61.601 62.100 -0.025 0.000 0.957 72 T CB 0.777 69.628 68.868 -0.027 0.000 0.930 72 T HN 0.302 nan 8.240 nan 0.000 0.443 73 L N 3.095 124.283 121.223 -0.059 0.000 2.294 73 L HA 0.447 4.786 4.340 -0.001 0.000 0.283 73 L C 0.182 177.012 176.870 -0.067 0.000 1.015 73 L CA -0.567 54.194 54.840 -0.132 0.000 0.831 73 L CB 1.321 43.286 42.059 -0.158 0.000 1.217 73 L HN 0.572 nan 8.230 nan 0.000 0.420 74 S N 2.234 117.874 115.700 -0.100 0.000 2.508 74 S HA 0.324 4.793 4.470 -0.001 0.000 0.284 74 S C -0.234 174.320 174.600 -0.076 0.000 1.192 74 S CA -0.571 57.597 58.200 -0.052 0.000 1.070 74 S CB 1.182 64.354 63.200 -0.047 0.000 1.004 74 S HN 0.513 nan 8.310 nan 0.000 0.493 75 N N 2.204 120.888 118.700 -0.028 0.000 2.564 75 N HA 0.190 4.930 4.740 -0.001 0.000 0.248 75 N C -0.356 175.145 175.510 -0.015 0.000 0.986 75 N CA -0.785 52.244 53.050 -0.036 0.000 0.921 75 N CB 0.883 39.382 38.487 0.020 0.000 1.136 75 N HN 0.602 nan 8.380 nan 0.000 0.509 76 D N 1.209 121.592 120.400 -0.029 0.000 2.328 76 D HA 0.158 4.798 4.640 -0.001 0.000 0.221 76 D C 0.726 177.020 176.300 -0.011 0.000 1.072 76 D CA -0.267 53.723 54.000 -0.016 0.000 0.850 76 D CB -0.022 40.766 40.800 -0.020 0.000 0.922 76 D HN 0.454 nan 8.370 nan 0.000 0.516 77 G N -0.057 108.736 108.800 -0.012 0.000 2.971 77 G HA2 0.428 4.387 3.960 -0.001 0.000 0.235 77 G HA3 0.428 4.387 3.960 -0.001 0.000 0.235 77 G C -0.348 174.559 174.900 0.011 0.000 1.351 77 G CA -0.784 44.314 45.100 -0.003 0.000 1.039 77 G HN 0.310 nan 8.290 nan 0.000 0.563 78 Q N -0.698 119.112 119.800 0.016 0.000 2.535 78 Q HA 0.554 4.893 4.340 -0.001 0.000 0.228 78 Q C 0.328 176.356 176.000 0.045 0.000 1.062 78 Q CA -0.200 55.619 55.803 0.027 0.000 0.967 78 Q CB 0.608 29.361 28.738 0.025 0.000 1.273 78 Q HN 0.657 nan 8.270 nan 0.000 0.554 79 A N 1.799 124.650 122.820 0.052 0.000 2.565 79 A HA 0.183 4.503 4.320 -0.001 0.000 0.237 79 A C -0.030 177.617 177.584 0.106 0.000 1.053 79 A CA -0.052 52.031 52.037 0.076 0.000 0.755 79 A CB -0.391 18.639 19.000 0.049 0.000 0.980 79 A HN 0.659 nan 8.150 nan 0.000 0.506 80 I N 2.589 123.267 120.570 0.181 0.000 2.361 80 I HA 0.187 4.356 4.170 -0.001 0.000 0.282 80 I C -0.451 175.846 176.117 0.300 0.000 1.075 80 I CA -0.205 61.239 61.300 0.240 0.000 1.205 80 I CB 0.911 39.091 38.000 0.300 0.000 1.406 80 I HN 0.571 nan 8.210 nan 0.000 0.481 81 D N 3.798 124.324 120.400 0.210 0.000 2.360 81 D HA 0.091 4.730 4.640 -0.001 0.000 0.210 81 D C 1.293 177.789 176.300 0.326 0.000 1.047 81 D CA 0.226 54.334 54.000 0.180 0.000 0.854 81 D CB 0.646 41.487 40.800 0.068 0.000 0.936 81 D HN 0.563 nan 8.370 nan 0.000 0.514 82 G N 0.579 109.600 108.800 0.369 0.000 2.491 82 G HA2 0.040 4.000 3.960 -0.001 0.000 0.238 82 G HA3 0.040 4.000 3.960 -0.001 0.000 0.238 82 G C 0.751 176.020 174.900 0.615 0.000 1.277 82 G CA -0.248 45.087 45.100 0.393 0.000 0.851 82 G HN 0.053 nan 8.290 nan 0.000 0.573 83 K N -0.087 120.541 120.400 0.380 0.000 2.360 83 K HA 0.049 4.368 4.320 -0.001 0.000 0.196 83 K C 0.319 176.867 176.600 -0.087 0.000 1.049 83 K CA -0.069 56.318 56.287 0.166 0.000 1.049 83 K CB 0.696 33.258 32.500 0.104 0.000 0.881 83 K HN 0.476 nan 8.250 nan 0.000 0.542 84 D N 2.115 122.576 120.400 0.103 0.000 2.713 84 D HA -0.011 4.628 4.640 -0.001 0.000 0.229 84 D C -0.935 175.457 176.300 0.154 0.000 1.136 84 D CA -0.368 53.659 54.000 0.046 0.000 1.010 84 D CB -0.045 40.808 40.800 0.089 0.000 1.084 84 D HN 0.175 nan 8.370 nan 0.000 0.495 85 W N 0.939 122.245 121.300 0.010 0.000 3.118 85 W HA 0.633 5.292 4.660 -0.001 0.000 0.328 85 W C -1.946 174.560 176.519 -0.021 0.000 1.239 85 W CA -1.128 56.229 57.345 0.020 0.000 1.176 85 W CB 0.457 29.944 29.460 0.046 0.000 1.433 85 W HN -0.280 nan 8.180 nan 0.000 0.562 86 V N 2.930 123.046 119.914 0.336 0.000 2.638 86 V HA 0.445 4.564 4.120 -0.001 0.000 0.306 86 V C -0.435 175.780 176.094 0.200 0.000 1.052 86 V CA -0.881 61.483 62.300 0.106 0.000 0.885 86 V CB 2.143 33.874 31.823 -0.153 0.000 0.999 86 V HN 0.504 nan 8.190 nan 0.000 0.424 87 I N 4.515 125.182 120.570 0.161 0.000 2.355 87 I HA 0.434 4.603 4.170 -0.001 0.000 0.288 87 I C -1.034 174.918 176.117 -0.275 0.000 0.999 87 I CA -0.370 60.966 61.300 0.060 0.000 1.163 87 I CB 1.156 39.289 38.000 0.221 0.000 1.316 87 I HN 0.509 nan 8.210 nan 0.000 0.454 88 Y N 7.054 127.087 120.300 -0.446 0.000 2.308 88 Y HA 0.544 5.093 4.550 -0.001 0.000 0.329 88 Y C -0.062 175.389 175.900 -0.748 0.000 1.111 88 Y CA -0.398 57.280 58.100 -0.703 0.000 1.179 88 Y CB 1.050 38.773 38.460 -1.228 0.000 1.201 88 Y HN 0.428 nan 8.280 nan 0.000 0.483 89 F N -0.195 119.305 119.950 -0.751 0.000 2.662 89 F HA 0.627 5.154 4.527 0.000 0.000 0.312 89 F C -1.346 174.110 175.800 -0.573 0.000 1.113 89 F CA -1.314 56.110 58.000 -0.961 0.000 0.951 89 F CB 1.434 39.243 39.000 -1.986 0.000 1.344 89 F HN 0.361 nan 8.300 nan 0.000 0.462 90 H N 0.400 119.443 119.070 -0.045 0.000 2.573 90 H HA 0.740 5.295 4.556 -0.001 0.000 0.351 90 H C -1.077 174.424 175.328 0.288 0.000 1.163 90 H CA -0.782 55.311 56.048 0.075 0.000 1.205 90 H CB 2.032 31.882 29.762 0.146 0.000 1.605 90 H HN 0.748 nan 8.280 nan 0.000 0.525 91 S N 1.295 117.234 115.700 0.399 0.000 2.542 91 S HA 0.185 4.655 4.470 -0.001 0.000 0.276 91 S C -2.361 172.416 174.600 0.296 0.000 1.148 91 S CA -1.100 57.313 58.200 0.355 0.000 0.886 91 S CB 1.733 65.095 63.200 0.269 0.000 1.109 91 S HN 0.418 nan 8.310 nan 0.000 0.458 92 P HA 0.162 nan 4.420 nan 0.000 0.241 92 P C -0.265 177.136 177.300 0.168 0.000 1.191 92 P CA 0.167 63.405 63.100 0.230 0.000 0.771 92 P CB 0.096 31.885 31.700 0.149 0.000 0.929 93 R N 0.421 120.971 120.500 0.083 0.000 2.637 93 R HA 0.377 4.716 4.340 -0.001 0.000 0.291 93 R C 0.504 176.668 176.300 -0.228 0.000 0.963 93 R CA -0.730 55.366 56.100 -0.007 0.000 0.901 93 R CB 0.927 31.226 30.300 -0.001 0.000 1.160 93 R HN 0.177 nan 8.270 nan 0.000 0.457 94 Q N 0.777 120.347 119.800 -0.383 0.000 2.340 94 Q HA 0.187 4.526 4.340 -0.001 0.000 0.249 94 Q C -0.274 175.500 176.000 -0.376 0.000 0.957 94 Q CA 0.216 55.709 55.803 -0.516 0.000 0.882 94 Q CB 0.882 29.239 28.738 -0.635 0.000 1.235 94 Q HN 0.347 nan 8.270 nan 0.000 0.439 95 T N 2.963 117.278 114.554 -0.398 0.000 2.780 95 T HA 0.230 4.579 4.350 -0.001 0.000 0.294 95 T C 1.154 175.782 174.700 -0.120 0.000 0.949 95 T CA -0.135 61.853 62.100 -0.187 0.000 1.074 95 T CB 0.329 69.137 68.868 -0.100 0.000 0.910 95 T HN 0.412 nan 8.240 nan 0.000 0.501 96 L N 2.398 123.563 121.223 -0.096 0.000 2.537 96 L HA 0.428 4.767 4.340 -0.001 0.000 0.224 96 L C 1.174 178.018 176.870 -0.043 0.000 1.065 96 L CA 0.220 55.013 54.840 -0.078 0.000 0.860 96 L CB 0.244 42.248 42.059 -0.092 0.000 1.086 96 L HN 0.405 nan 8.230 nan 0.000 0.482 97 R N -0.343 120.139 120.500 -0.031 0.000 2.680 97 R HA 0.594 4.933 4.340 -0.001 0.000 0.269 97 R C -1.915 174.386 176.300 0.002 0.000 1.026 97 R CA -0.453 55.640 56.100 -0.012 0.000 0.889 97 R CB 2.915 33.203 30.300 -0.020 0.000 1.241 97 R HN -0.265 nan 8.270 nan 0.000 0.463 98 V N 2.746 122.676 119.914 0.027 0.000 2.487 98 V HA 0.290 4.409 4.120 -0.001 0.000 0.298 98 V C -0.729 175.397 176.094 0.053 0.000 1.028 98 V CA -0.557 61.775 62.300 0.054 0.000 0.860 98 V CB 1.847 33.735 31.823 0.108 0.000 0.991 98 V HN 0.781 nan 8.190 nan 0.000 0.427 99 D N 2.492 122.919 120.400 0.045 0.000 2.424 99 D HA 0.134 4.773 4.640 -0.001 0.000 0.220 99 D C 0.166 176.508 176.300 0.071 0.000 1.150 99 D CA 0.290 54.314 54.000 0.040 0.000 0.831 99 D CB 0.307 41.112 40.800 0.008 0.000 0.981 99 D HN 0.434 nan 8.370 nan 0.000 0.500 100 N N 1.552 120.330 118.700 0.130 0.000 2.483 100 N HA 0.005 4.744 4.740 -0.001 0.000 0.267 100 N C 0.125 175.752 175.510 0.195 0.000 0.998 100 N CA -0.366 52.799 53.050 0.192 0.000 0.918 100 N CB 1.501 40.166 38.487 0.298 0.000 1.215 100 N HN -0.215 nan 8.380 nan 0.000 0.500 101 D N 2.344 122.805 120.400 0.101 0.000 2.371 101 D HA -0.102 4.537 4.640 -0.001 0.000 0.234 101 D C 0.591 176.886 176.300 -0.008 0.000 1.049 101 D CA 0.802 54.831 54.000 0.049 0.000 0.907 101 D CB 0.123 40.933 40.800 0.017 0.000 0.891 101 D HN 0.587 nan 8.370 nan 0.000 0.531 102 Q N -1.104 118.668 119.800 -0.046 0.000 2.432 102 Q HA 0.141 4.481 4.340 -0.001 0.000 0.205 102 Q C -0.354 175.248 176.000 -0.663 0.000 0.945 102 Q CA 0.409 56.008 55.803 -0.339 0.000 0.924 102 Q CB 0.296 28.729 28.738 -0.508 0.000 1.016 102 Q HN 0.291 nan 8.270 nan 0.000 0.503 103 F N 0.315 120.314 119.950 0.081 0.000 2.620 103 F HA 0.425 4.950 4.527 -0.003 0.000 0.320 103 F C -0.408 175.409 175.800 0.029 0.000 1.069 103 F CA -1.107 56.925 58.000 0.054 0.000 0.953 103 F CB 1.549 40.632 39.000 0.138 0.000 1.322 103 F HN -0.296 nan 8.300 nan 0.000 0.479 104 K N 0.712 121.235 120.400 0.205 0.000 2.532 104 K HA 0.848 5.167 4.320 -0.001 0.000 0.265 104 K C -1.946 174.729 176.600 0.125 0.000 0.948 104 K CA -0.760 55.598 56.287 0.118 0.000 0.842 104 K CB 2.810 35.327 32.500 0.029 0.000 1.392 104 K HN 0.604 nan 8.250 nan 0.000 0.436 105 I N 1.029 121.672 120.570 0.122 0.000 2.608 105 I HA 0.613 4.783 4.170 -0.001 0.000 0.295 105 I C -1.006 175.176 176.117 0.109 0.000 1.049 105 I CA -0.733 60.659 61.300 0.154 0.000 1.063 105 I CB 2.268 40.418 38.000 0.251 0.000 1.248 105 I HN 0.935 nan 8.210 nan 0.000 0.424 106 A N 4.393 127.265 122.820 0.087 0.000 2.469 106 A HA 0.550 4.869 4.320 -0.001 0.000 0.299 106 A C -1.432 176.210 177.584 0.098 0.000 1.098 106 A CA -0.513 51.565 52.037 0.068 0.000 0.737 106 A CB 1.436 20.429 19.000 -0.011 0.000 1.312 106 A HN 0.823 nan 8.150 nan 0.000 0.414 107 H N 2.132 121.162 119.070 -0.067 0.000 2.473 107 H HA 0.548 5.103 4.556 -0.001 0.000 0.327 107 H C -0.254 174.880 175.328 -0.323 0.000 1.105 107 H CA -0.621 55.216 56.048 -0.351 0.000 1.280 107 H CB 0.881 30.464 29.762 -0.299 0.000 1.450 107 H HN 0.579 nan 8.280 nan 0.000 0.492 108 L N 2.538 123.328 121.223 -0.722 0.000 2.140 108 L HA 0.196 4.536 4.340 -0.001 0.000 0.201 108 L C 0.778 177.114 176.870 -0.890 0.000 1.191 108 L CA 0.307 54.813 54.840 -0.556 0.000 0.825 108 L CB -0.291 41.587 42.059 -0.302 0.000 0.970 108 L HN 0.505 nan 8.230 nan 0.000 0.477 109 T N -1.813 112.252 114.554 -0.815 0.000 2.889 109 T HA 0.508 4.857 4.350 -0.001 0.000 0.315 109 T C -0.192 174.186 174.700 -0.536 0.000 1.291 109 T CA 0.228 61.921 62.100 -0.679 0.000 1.028 109 T CB 1.409 70.161 68.868 -0.193 0.000 1.235 109 T HN 0.822 nan 8.240 nan 0.000 0.491 110 G N 3.594 111.944 108.800 -0.750 0.000 2.561 110 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.289 110 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.289 110 G C 0.312 175.027 174.900 -0.309 0.000 1.169 110 G CA 1.075 45.461 45.100 -1.191 0.000 0.980 110 G HN 1.119 nan 8.290 nan 0.000 0.550 111 D N 0.294 120.565 120.400 -0.216 0.000 2.342 111 D HA 0.379 5.018 4.640 -0.001 0.000 0.221 111 D C 0.806 177.093 176.300 -0.020 0.000 1.101 111 D CA -0.031 53.990 54.000 0.035 0.000 0.837 111 D CB 0.220 41.065 40.800 0.075 0.000 0.938 111 D HN 0.507 nan 8.370 nan 0.000 0.508 112 L N 1.227 122.268 121.223 -0.303 0.000 2.265 112 L HA 0.407 4.746 4.340 -0.001 0.000 0.288 112 L C -1.440 174.965 176.870 -0.776 0.000 1.058 112 L CA -0.556 54.026 54.840 -0.430 0.000 0.809 112 L CB 0.456 42.365 42.059 -0.249 0.000 1.179 112 L HN -0.101 nan 8.230 nan 0.000 0.429 113 Y N 3.360 123.290 120.300 -0.617 0.000 2.602 113 Y HA 0.648 5.198 4.550 -0.001 0.000 0.342 113 Y C -0.461 175.021 175.900 -0.697 0.000 1.029 113 Y CA -0.908 56.780 58.100 -0.686 0.000 1.080 113 Y CB 1.714 39.499 38.460 -1.124 0.000 1.284 113 Y HN 0.509 nan 8.280 nan 0.000 0.485 114 K N 1.222 121.445 120.400 -0.296 0.000 2.427 114 K HA 0.694 5.014 4.320 -0.001 0.000 0.252 114 K C -2.028 174.523 176.600 -0.083 0.000 0.931 114 K CA -0.936 55.117 56.287 -0.389 0.000 0.793 114 K CB 2.458 34.560 32.500 -0.663 0.000 1.211 114 K HN 0.517 nan 8.250 nan 0.000 0.426 115 L N 1.545 122.772 121.223 0.008 0.000 2.295 115 L HA 0.470 4.810 4.340 -0.001 0.000 0.285 115 L C -1.088 175.845 176.870 0.106 0.000 1.035 115 L CA 0.416 55.356 54.840 0.166 0.000 0.806 115 L CB 1.256 43.466 42.059 0.253 0.000 1.214 115 L HN 0.828 nan 8.230 nan 0.000 0.426 116 E N 5.471 125.674 120.200 0.005 0.000 2.393 116 E HA 0.491 4.841 4.350 -0.001 0.000 0.273 116 E C -2.692 173.653 176.600 -0.424 0.000 0.918 116 E CA -2.121 54.043 56.400 -0.394 0.000 0.773 116 E CB 2.134 31.633 29.700 -0.336 0.000 1.275 116 E HN 0.428 nan 8.360 nan 0.000 0.451 117 P HA 0.004 nan 4.420 nan 0.000 0.275 117 P C -0.305 176.720 177.300 -0.458 0.000 1.228 117 P CA -0.136 62.452 63.100 -0.853 0.000 0.786 117 P CB 0.759 31.674 31.700 -1.310 0.000 0.927 118 T N -1.649 112.724 114.554 -0.301 0.000 2.880 118 T HA 0.506 4.855 4.350 -0.001 0.000 0.279 118 T C 1.471 176.104 174.700 -0.112 0.000 0.990 118 T CA -0.185 61.813 62.100 -0.170 0.000 0.938 118 T CB 0.227 69.027 68.868 -0.113 0.000 1.206 118 T HN 0.288 nan 8.240 nan 0.000 0.573 119 A N -0.081 122.692 122.820 -0.079 0.000 2.121 119 A HA 0.033 4.352 4.320 -0.001 0.000 0.218 119 A C 2.091 179.652 177.584 -0.038 0.000 1.154 119 A CA 0.948 52.955 52.037 -0.049 0.000 0.679 119 A CB -0.783 18.190 19.000 -0.045 0.000 0.795 119 A HN 0.826 nan 8.150 nan 0.000 0.458 120 K N -1.411 118.958 120.400 -0.053 0.000 2.426 120 K HA 0.105 4.425 4.320 -0.001 0.000 0.193 120 K C -0.003 176.550 176.600 -0.079 0.000 1.028 120 K CA -0.368 55.882 56.287 -0.062 0.000 1.047 120 K CB -0.072 32.390 32.500 -0.063 0.000 0.821 120 K HN 0.460 nan 8.250 nan 0.000 0.513 121 F N 2.250 122.044 119.950 -0.261 0.000 2.608 121 F HA -0.122 4.405 4.527 0.000 0.000 0.380 121 F C 0.877 176.562 175.800 -0.191 0.000 1.083 121 F CA 0.154 57.954 58.000 -0.333 0.000 1.266 121 F CB 0.632 39.408 39.000 -0.374 0.000 1.076 121 F HN -0.076 nan 8.300 nan 0.000 0.574 122 S N 3.754 118.973 115.700 -0.802 0.000 2.749 122 S HA 0.586 5.055 4.470 -0.001 0.000 0.246 122 S C 0.378 174.487 174.600 -0.819 0.000 1.023 122 S CA -0.096 57.733 58.200 -0.619 0.000 1.012 122 S CB -0.425 62.585 63.200 -0.316 0.000 0.942 122 S HN 1.689 nan 8.310 nan 0.000 0.531 123 G N 1.012 108.761 108.800 -1.752 0.000 2.662 123 G HA2 -0.009 3.950 3.960 -0.001 0.000 0.686 123 G HA3 -0.009 3.950 3.960 -0.001 0.000 0.686 123 G C -0.929 173.652 174.900 -0.533 0.000 1.271 123 G CA -1.143 43.306 45.100 -1.086 0.000 0.816 123 G HN 0.289 nan 8.290 nan 0.000 0.608 124 F N 1.811 121.812 119.950 0.086 0.000 2.368 124 F HA 0.441 4.967 4.527 -0.003 0.000 0.362 124 F C -1.460 174.364 175.800 0.039 0.000 1.137 124 F CA -1.583 56.494 58.000 0.128 0.000 1.161 124 F CB 1.340 40.423 39.000 0.139 0.000 1.265 124 F HN 0.178 nan 8.300 nan 0.000 0.530 125 P HA 0.025 nan 4.420 nan 0.000 0.268 125 P C -0.451 176.902 177.300 0.088 0.000 1.208 125 P CA -0.253 62.891 63.100 0.073 0.000 0.777 125 P CB 0.602 32.324 31.700 0.037 0.000 0.875 126 A N 2.700 125.553 122.820 0.056 0.000 2.524 126 A HA 0.417 4.736 4.320 -0.001 0.000 0.250 126 A C 1.383 178.988 177.584 0.036 0.000 1.078 126 A CA 0.561 52.624 52.037 0.044 0.000 0.761 126 A CB -1.426 17.591 19.000 0.029 0.000 1.012 126 A HN 0.892 nan 8.150 nan 0.000 0.500 127 G N 1.205 110.023 108.800 0.031 0.000 2.273 127 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.280 127 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.280 127 G C -0.088 174.829 174.900 0.029 0.000 1.047 127 G CA 0.997 46.110 45.100 0.022 0.000 0.869 127 G HN 0.880 nan 8.290 nan 0.000 0.502 128 K N -0.686 119.741 120.400 0.046 0.000 2.435 128 K HA 0.826 5.145 4.320 -0.001 0.000 0.251 128 K C -0.070 176.573 176.600 0.070 0.000 0.954 128 K CA 0.147 56.467 56.287 0.056 0.000 0.820 128 K CB 2.023 34.565 32.500 0.070 0.000 1.292 128 K HN 0.764 nan 8.250 nan 0.000 0.436 129 A N 1.816 124.673 122.820 0.061 0.000 2.271 129 A HA 0.551 4.871 4.320 -0.001 0.000 0.317 129 A C -0.875 176.767 177.584 0.097 0.000 1.245 129 A CA -0.622 51.452 52.037 0.062 0.000 0.857 129 A CB 0.599 19.615 19.000 0.027 0.000 1.175 129 A HN 0.383 nan 8.150 nan 0.000 0.512 130 V N 3.537 123.543 119.914 0.153 0.000 2.383 130 V HA 0.218 4.338 4.120 -0.001 0.000 0.275 130 V C 0.163 176.324 176.094 0.113 0.000 1.036 130 V CA -0.295 62.118 62.300 0.189 0.000 0.889 130 V CB 1.131 33.168 31.823 0.356 0.000 0.985 130 V HN 0.946 nan 8.190 nan 0.000 0.459 131 E N 5.245 125.499 120.200 0.090 0.000 2.174 131 E HA 0.533 4.882 4.350 -0.001 0.000 0.282 131 E C -0.954 175.678 176.600 0.053 0.000 0.992 131 E CA -0.368 56.063 56.400 0.052 0.000 0.803 131 E CB 1.878 31.599 29.700 0.035 0.000 1.090 131 E HN 0.549 nan 8.360 nan 0.000 0.396 132 I N 5.266 125.849 120.570 0.022 0.000 2.537 132 I HA 0.231 4.401 4.170 -0.001 0.000 0.276 132 I C -2.463 173.628 176.117 -0.042 0.000 1.063 132 I CA -2.282 59.028 61.300 0.017 0.000 1.144 132 I CB 1.321 39.301 38.000 -0.033 0.000 1.252 132 I HN 0.178 nan 8.210 nan 0.000 0.480 133 P HA 0.217 nan 4.420 nan 0.000 0.276 133 P C -0.550 176.661 177.300 -0.147 0.000 1.230 133 P CA -0.187 62.839 63.100 -0.123 0.000 0.776 133 P CB 1.205 32.864 31.700 -0.067 0.000 0.888 134 V N 1.010 120.775 119.914 -0.250 0.000 3.102 134 V HA 0.696 4.815 4.120 -0.001 0.000 0.312 134 V C -0.818 175.191 176.094 -0.142 0.000 1.135 134 V CA -1.070 61.118 62.300 -0.186 0.000 1.022 134 V CB 2.206 33.875 31.823 -0.255 0.000 1.056 134 V HN 0.170 nan 8.190 nan 0.000 0.436 135 V N 1.582 121.445 119.914 -0.086 0.000 2.513 135 V HA 0.936 5.055 4.120 -0.001 0.000 0.299 135 V C 0.463 176.517 176.094 -0.067 0.000 1.035 135 V CA 0.311 62.572 62.300 -0.066 0.000 0.889 135 V CB 1.289 33.082 31.823 -0.050 0.000 0.988 135 V HN 1.505 nan 8.190 nan 0.000 0.440 136 A N 3.072 125.860 122.820 -0.054 0.000 2.423 136 A HA 0.749 5.068 4.320 -0.001 0.000 0.304 136 A C -0.432 177.091 177.584 -0.102 0.000 1.104 136 A CA -0.684 51.310 52.037 -0.071 0.000 0.757 136 A CB 1.343 20.337 19.000 -0.010 0.000 1.313 136 A HN 0.820 nan 8.150 nan 0.000 0.423 137 E N 0.091 120.186 120.200 -0.175 0.000 2.390 137 E HA 0.409 4.759 4.350 -0.001 0.000 0.261 137 E C -0.462 175.974 176.600 -0.275 0.000 1.076 137 E CA 0.245 56.454 56.400 -0.319 0.000 0.905 137 E CB 0.149 29.580 29.700 -0.447 0.000 0.984 137 E HN 0.607 nan 8.360 nan 0.000 0.427 138 Y N -0.992 119.113 120.300 -0.326 0.000 2.896 138 Y HA -0.339 4.210 4.550 -0.001 0.000 0.466 138 Y C -0.255 175.410 175.900 -0.392 0.000 1.198 138 Y CA 1.880 59.519 58.100 -0.768 0.000 2.512 138 Y CB -1.373 36.351 38.460 -1.226 0.000 1.232 138 Y HN 0.779 nan 8.280 nan 0.000 0.632 139 W N -0.706 120.792 121.300 0.330 0.000 3.075 139 W HA 0.765 5.424 4.660 -0.002 0.000 0.334 139 W C -1.771 174.918 176.519 0.282 0.000 1.243 139 W CA -1.173 56.321 57.345 0.247 0.000 1.170 139 W CB 1.137 30.736 29.460 0.232 0.000 1.452 139 W HN 0.266 nan 8.180 nan 0.000 0.572 140 Q N 1.918 122.020 119.800 0.502 0.000 2.771 140 Q HA 0.300 4.640 4.340 -0.001 0.000 0.247 140 Q C 0.304 176.631 176.000 0.545 0.000 0.986 140 Q CA -0.354 55.709 55.803 0.434 0.000 0.713 140 Q CB 1.483 30.314 28.738 0.155 0.000 1.241 140 Q HN 0.620 nan 8.270 nan 0.000 0.488 141 L N 0.717 122.225 121.223 0.477 0.000 2.509 141 L HA 0.218 4.557 4.340 -0.001 0.000 0.222 141 L C -0.105 176.628 176.870 -0.229 0.000 1.123 141 L CA 0.794 55.733 54.840 0.164 0.000 0.856 141 L CB 0.219 42.172 42.059 -0.177 0.000 0.985 141 L HN 0.371 nan 8.230 nan 0.000 0.456 142 F N -1.469 118.417 119.950 -0.107 0.000 2.532 142 F HA 0.391 4.918 4.527 -0.001 0.000 0.321 142 F C 1.333 177.027 175.800 -0.177 0.000 1.089 142 F CA -0.903 56.962 58.000 -0.225 0.000 0.926 142 F CB 1.357 40.296 39.000 -0.101 0.000 1.168 142 F HN -0.345 nan 8.300 nan 0.000 0.459 143 R N 0.461 120.864 120.500 -0.162 0.000 2.152 143 R HA -0.177 4.162 4.340 -0.001 0.000 0.232 143 R C 1.584 178.041 176.300 0.261 0.000 1.117 143 R CA 1.238 57.390 56.100 0.086 0.000 0.981 143 R CB -0.304 29.965 30.300 -0.051 0.000 0.870 143 R HN 0.601 nan 8.270 nan 0.000 0.451 144 N N 0.884 119.717 118.700 0.222 0.000 2.519 144 N HA -0.156 4.583 4.740 -0.001 0.000 0.186 144 N C 0.770 176.447 175.510 0.280 0.000 1.062 144 N CA 1.051 54.249 53.050 0.247 0.000 0.910 144 N CB -0.019 38.603 38.487 0.226 0.000 0.958 144 N HN 0.116 nan 8.380 nan 0.000 0.445 145 D N -0.696 119.821 120.400 0.196 0.000 2.178 145 D HA -0.081 4.558 4.640 -0.001 0.000 0.202 145 D C -0.322 175.970 176.300 -0.012 0.000 0.974 145 D CA 0.660 54.692 54.000 0.054 0.000 0.841 145 D CB -0.133 40.579 40.800 -0.146 0.000 0.953 145 D HN 0.218 nan 8.370 nan 0.000 0.478 146 F N 0.889 121.072 119.950 0.388 0.000 2.438 146 F HA 0.266 4.793 4.527 0.001 0.000 0.356 146 F C 0.772 176.887 175.800 0.526 0.000 1.099 146 F CA -0.401 57.875 58.000 0.460 0.000 1.185 146 F CB 0.470 39.712 39.000 0.403 0.000 1.115 146 F HN -0.293 nan 8.300 nan 0.000 0.526 147 L N 6.014 127.681 121.223 0.740 0.000 2.343 147 L HA 0.494 4.834 4.340 -0.001 0.000 0.275 147 L C -1.981 175.290 176.870 0.669 0.000 1.056 147 L CA -1.952 53.268 54.840 0.633 0.000 0.804 147 L CB 1.491 43.861 42.059 0.518 0.000 1.203 147 L HN 0.390 nan 8.230 nan 0.000 0.440 148 P HA 0.214 nan 4.420 nan 0.000 0.282 148 P C -0.975 176.462 177.300 0.228 0.000 1.287 148 P CA -0.481 62.718 63.100 0.164 0.000 0.792 148 P CB 0.560 32.383 31.700 0.205 0.000 1.163 149 R N -3.130 117.425 120.500 0.091 0.000 3.261 149 R HA -0.145 4.195 4.340 -0.001 0.000 0.257 149 R C -0.704 175.855 176.300 0.432 0.000 1.014 149 R CA 0.232 56.465 56.100 0.221 0.000 0.681 149 R CB -2.670 27.751 30.300 0.202 0.000 1.155 149 R HN 0.474 nan 8.270 nan 0.000 0.424 150 W N 1.379 122.708 121.300 0.049 0.000 2.148 150 W HA 0.229 4.889 4.660 0.000 0.000 0.347 150 W C 1.152 177.765 176.519 0.157 0.000 1.288 150 W CA 0.661 58.048 57.345 0.071 0.000 1.252 150 W CB 0.078 29.484 29.460 -0.090 0.000 1.156 150 W HN 0.288 nan 8.180 nan 0.000 0.580 151 Y N -0.592 119.842 120.300 0.224 0.000 2.581 151 Y HA 0.804 5.354 4.550 -0.001 0.000 0.337 151 Y C -0.904 175.081 175.900 0.141 0.000 1.108 151 Y CA -2.380 55.800 58.100 0.133 0.000 1.033 151 Y CB 0.527 39.029 38.460 0.069 0.000 1.318 151 Y HN 0.545 nan 8.280 nan 0.000 0.459 152 A N 1.722 124.693 122.820 0.252 0.000 2.325 152 A HA 0.880 5.200 4.320 -0.001 0.000 0.333 152 A C -0.300 177.421 177.584 0.229 0.000 1.155 152 A CA -0.109 52.036 52.037 0.180 0.000 0.814 152 A CB 0.907 19.947 19.000 0.067 0.000 1.206 152 A HN 1.215 nan 8.150 nan 0.000 0.482 153 T N -1.640 113.066 114.554 0.253 0.000 2.901 153 T HA 0.806 5.155 4.350 -0.001 0.000 0.293 153 T C -0.504 174.343 174.700 0.245 0.000 1.084 153 T CA -0.470 61.771 62.100 0.236 0.000 1.008 153 T CB 1.676 70.711 68.868 0.278 0.000 1.170 153 T HN 1.646 nan 8.240 nan 0.000 0.509 154 S N 0.044 115.864 115.700 0.200 0.000 2.590 154 S HA 0.543 5.013 4.470 -0.001 0.000 0.286 154 S C 0.300 174.986 174.600 0.143 0.000 1.147 154 S CA 0.010 58.325 58.200 0.191 0.000 0.963 154 S CB 0.336 63.656 63.200 0.199 0.000 1.124 154 S HN 2.024 nan 8.310 nan 0.000 0.458 155 G N 5.276 114.150 108.800 0.124 0.000 2.874 155 G HA2 -0.056 3.903 3.960 -0.001 0.000 0.337 155 G HA3 -0.056 3.903 3.960 -0.001 0.000 0.337 155 G C 0.836 175.789 174.900 0.089 0.000 0.176 155 G CA 1.475 46.633 45.100 0.096 0.000 1.232 155 G HN 1.801 nan 8.290 nan 0.000 0.406 156 D N -0.165 120.285 120.400 0.084 0.000 2.771 156 D HA -0.332 4.308 4.640 -0.001 0.000 0.183 156 D C 0.965 177.308 176.300 0.073 0.000 1.231 156 D CA 2.625 56.668 54.000 0.072 0.000 1.049 156 D CB -1.340 39.494 40.800 0.056 0.000 1.045 156 D HN 1.779 nan 8.370 nan 0.000 0.419 157 A N 0.461 123.329 122.820 0.080 0.000 2.504 157 A HA 0.295 4.615 4.320 -0.001 0.000 0.242 157 A C 0.648 178.276 177.584 0.075 0.000 1.100 157 A CA 0.587 52.668 52.037 0.075 0.000 0.786 157 A CB 0.311 19.361 19.000 0.083 0.000 1.050 157 A HN 0.220 nan 8.150 nan 0.000 0.512 158 K N 0.681 121.117 120.400 0.060 0.000 2.143 158 K HA 0.452 4.772 4.320 -0.001 0.000 0.272 158 K C -2.695 173.935 176.600 0.051 0.000 1.001 158 K CA -2.263 54.055 56.287 0.051 0.000 0.915 158 K CB 0.485 33.005 32.500 0.034 0.000 1.047 158 K HN 0.328 nan 8.250 nan 0.000 0.458 159 P HA 0.117 nan 4.420 nan 0.000 0.268 159 P C -0.799 176.515 177.300 0.023 0.000 1.205 159 P CA 0.137 63.256 63.100 0.032 0.000 0.771 159 P CB 0.533 32.172 31.700 -0.101 0.000 0.858 160 K N 2.572 123.020 120.400 0.079 0.000 2.468 160 K HA 0.430 4.750 4.320 -0.001 0.000 0.252 160 K C -0.244 176.426 176.600 0.116 0.000 0.932 160 K CA -0.697 55.627 56.287 0.060 0.000 0.794 160 K CB 1.987 34.513 32.500 0.043 0.000 1.241 160 K HN 0.423 nan 8.250 nan 0.000 0.428 161 M N 2.284 121.941 119.600 0.096 0.000 2.240 161 M HA 0.105 4.584 4.480 -0.001 0.000 0.333 161 M C -0.176 176.171 176.300 0.079 0.000 1.110 161 M CA -0.574 54.811 55.300 0.143 0.000 1.173 161 M CB 0.250 32.908 32.600 0.097 0.000 1.458 161 M HN 0.259 nan 8.290 nan 0.000 0.458 162 L N 2.545 123.815 121.223 0.077 0.000 2.456 162 L HA 0.054 4.393 4.340 -0.001 0.000 0.277 162 L C 1.191 178.031 176.870 -0.050 0.000 1.124 162 L CA 0.484 55.309 54.840 -0.026 0.000 0.880 162 L CB 0.349 42.362 42.059 -0.076 0.000 1.192 162 L HN 0.888 nan 8.230 nan 0.000 0.463 163 A N 4.184 126.976 122.820 -0.046 0.000 1.948 163 A HA -0.226 4.094 4.320 -0.001 0.000 0.220 163 A C 1.893 179.451 177.584 -0.044 0.000 1.177 163 A CA 1.894 53.912 52.037 -0.032 0.000 0.636 163 A CB -0.651 18.336 19.000 -0.023 0.000 0.815 163 A HN 0.910 nan 8.150 nan 0.000 0.449 164 N N 0.247 118.906 118.700 -0.068 0.000 2.550 164 N HA -0.112 4.628 4.740 -0.001 0.000 0.186 164 N C 1.148 176.611 175.510 -0.078 0.000 1.110 164 N CA 1.845 54.869 53.050 -0.044 0.000 0.912 164 N CB -0.932 37.533 38.487 -0.037 0.000 0.968 164 N HN 0.525 nan 8.380 nan 0.000 0.448 165 T N -3.907 110.526 114.554 -0.202 0.000 3.086 165 T HA 0.016 4.365 4.350 -0.001 0.000 0.250 165 T C 0.246 174.820 174.700 -0.210 0.000 1.074 165 T CA -0.258 61.569 62.100 -0.454 0.000 0.988 165 T CB -0.145 68.343 68.868 -0.635 0.000 0.988 165 T HN -0.032 nan 8.240 nan 0.000 0.530 166 D N 1.929 122.293 120.400 -0.060 0.000 2.517 166 D HA 0.385 5.024 4.640 -0.001 0.000 0.220 166 D C -0.478 175.850 176.300 0.047 0.000 1.158 166 D CA 0.225 54.231 54.000 0.010 0.000 0.992 166 D CB -0.188 40.625 40.800 0.023 0.000 1.058 166 D HN 0.329 nan 8.370 nan 0.000 0.516 167 T N 1.188 115.791 114.554 0.081 0.000 2.827 167 T HA 0.143 4.492 4.350 -0.001 0.000 0.328 167 T C -0.050 174.761 174.700 0.184 0.000 1.598 167 T CA -0.527 61.651 62.100 0.130 0.000 1.043 167 T CB 1.160 70.126 68.868 0.164 0.000 1.447 167 T HN 0.013 nan 8.240 nan 0.000 0.491 168 E N 1.357 121.647 120.200 0.151 0.000 2.472 168 E HA 0.099 4.448 4.350 -0.001 0.000 0.196 168 E C 0.326 177.014 176.600 0.147 0.000 1.033 168 E CA 0.033 56.524 56.400 0.152 0.000 0.886 168 E CB 0.090 29.848 29.700 0.097 0.000 0.944 168 E HN 0.440 nan 8.360 nan 0.000 0.492 169 N N 1.836 120.624 118.700 0.147 0.000 2.482 169 N HA 0.039 4.778 4.740 -0.001 0.000 0.242 169 N C 1.003 176.576 175.510 0.106 0.000 1.100 169 N CA 0.014 53.125 53.050 0.102 0.000 0.946 169 N CB 0.229 38.765 38.487 0.081 0.000 1.227 169 N HN 0.019 nan 8.380 nan 0.000 0.508 170 L N 1.358 122.591 121.223 0.017 0.000 2.187 170 L HA -0.173 4.166 4.340 -0.001 0.000 0.213 170 L C 0.963 177.670 176.870 -0.273 0.000 1.100 170 L CA 0.921 55.626 54.840 -0.225 0.000 0.765 170 L CB -0.237 41.719 42.059 -0.171 0.000 0.904 170 L HN 0.420 nan 8.230 nan 0.000 0.437 171 D N 0.055 120.397 120.400 -0.096 0.000 2.265 171 D HA -0.199 4.440 4.640 -0.001 0.000 0.208 171 D C 2.249 178.530 176.300 -0.033 0.000 0.977 171 D CA 0.955 54.917 54.000 -0.063 0.000 0.871 171 D CB -0.123 40.670 40.800 -0.013 0.000 0.925 171 D HN 0.461 nan 8.370 nan 0.000 0.485 172 Q N -1.038 118.786 119.800 0.042 0.000 2.291 172 Q HA -0.090 4.249 4.340 -0.001 0.000 0.205 172 Q C 1.072 177.178 176.000 0.177 0.000 0.970 172 Q CA 0.828 56.707 55.803 0.126 0.000 0.876 172 Q CB 0.048 28.912 28.738 0.210 0.000 0.935 172 Q HN 0.556 nan 8.270 nan 0.000 0.455 173 F N -4.198 115.737 119.950 -0.026 0.000 2.974 173 F HA 0.352 4.878 4.527 -0.002 0.000 0.357 173 F C -0.359 175.398 175.800 -0.071 0.000 1.114 173 F CA -0.661 57.291 58.000 -0.080 0.000 1.099 173 F CB 0.616 39.539 39.000 -0.128 0.000 1.205 173 F HN -0.337 nan 8.300 nan 0.000 0.535 174 V N 2.473 122.095 119.914 -0.488 0.000 2.407 174 V HA 0.798 4.917 4.120 -0.001 0.000 0.291 174 V C 0.574 176.581 176.094 -0.144 0.000 1.018 174 V CA -1.051 61.042 62.300 -0.345 0.000 0.842 174 V CB 0.609 32.199 31.823 -0.389 0.000 0.996 174 V HN 0.441 nan 8.190 nan 0.000 0.426 175 A N 7.472 130.248 122.820 -0.074 0.000 2.466 175 A HA 0.610 4.930 4.320 -0.001 0.000 0.238 175 A C -2.242 175.395 177.584 0.088 0.000 1.074 175 A CA -0.834 51.201 52.037 -0.003 0.000 0.774 175 A CB -0.271 18.724 19.000 -0.008 0.000 1.015 175 A HN 0.656 nan 8.150 nan 0.000 0.498 176 P HA 0.205 nan 4.420 nan 0.000 0.269 176 P C -0.576 176.913 177.300 0.314 0.000 1.215 176 P CA -0.008 63.185 63.100 0.155 0.000 0.780 176 P CB 0.193 31.948 31.700 0.092 0.000 0.898 177 F N 0.899 120.869 119.950 0.032 0.000 2.389 177 F HA 0.345 4.871 4.527 -0.001 0.000 0.337 177 F C 1.378 177.206 175.800 0.046 0.000 1.112 177 F CA 0.001 58.030 58.000 0.049 0.000 1.192 177 F CB 0.175 39.217 39.000 0.070 0.000 1.185 177 F HN 0.248 nan 8.300 nan 0.000 0.552 178 T N -0.961 113.671 114.554 0.130 0.000 2.888 178 T HA 0.733 5.082 4.350 -0.001 0.000 0.288 178 T C 0.478 175.226 174.700 0.080 0.000 1.063 178 T CA -0.374 61.781 62.100 0.091 0.000 1.010 178 T CB 1.320 70.206 68.868 0.031 0.000 1.214 178 T HN 1.051 nan 8.240 nan 0.000 0.533 179 G N 2.011 110.858 108.800 0.079 0.000 2.652 179 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.318 179 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.318 179 G C 0.264 175.231 174.900 0.111 0.000 1.295 179 G CA 0.863 46.002 45.100 0.065 0.000 0.999 179 G HN 1.362 nan 8.290 nan 0.000 0.548 180 D N 0.572 120.937 120.400 -0.059 0.000 2.491 180 D HA 0.147 4.786 4.640 -0.001 0.000 0.228 180 D C 1.728 177.736 176.300 -0.486 0.000 1.183 180 D CA 0.422 54.212 54.000 -0.350 0.000 0.827 180 D CB -0.102 40.482 40.800 -0.361 0.000 0.989 180 D HN 0.695 nan 8.370 nan 0.000 0.494 181 Q N -0.062 119.614 119.800 -0.207 0.000 2.364 181 Q HA -0.050 4.289 4.340 -0.001 0.000 0.207 181 Q C 1.320 177.287 176.000 -0.055 0.000 0.970 181 Q CA 0.852 56.526 55.803 -0.215 0.000 0.888 181 Q CB -0.198 28.314 28.738 -0.377 0.000 0.951 181 Q HN 0.655 nan 8.270 nan 0.000 0.469 182 W N 1.141 122.476 121.300 0.059 0.000 2.678 182 W HA 0.118 4.777 4.660 -0.002 0.000 0.256 182 W C -0.129 176.338 176.519 -0.088 0.000 1.280 182 W CA -0.192 57.152 57.345 -0.001 0.000 1.345 182 W CB -0.117 29.283 29.460 -0.101 0.000 1.118 182 W HN -0.163 nan 8.180 nan 0.000 0.629 183 K N 1.894 121.817 120.400 -0.796 0.000 2.298 183 K HA 0.095 4.414 4.320 -0.001 0.000 0.280 183 K C 1.187 177.574 176.600 -0.354 0.000 1.032 183 K CA -0.315 55.527 56.287 -0.742 0.000 0.958 183 K CB 1.654 33.586 32.500 -0.947 0.000 0.978 183 K HN -0.131 nan 8.250 nan 0.000 0.472 184 R N 1.041 121.351 120.500 -0.316 0.000 2.119 184 R HA -0.054 4.286 4.340 -0.001 0.000 0.222 184 R C 0.525 176.623 176.300 -0.338 0.000 1.088 184 R CA 1.309 57.164 56.100 -0.408 0.000 0.984 184 R CB 0.351 30.285 30.300 -0.609 0.000 0.884 184 R HN 0.839 nan 8.270 nan 0.000 0.447 185 T N -3.232 111.155 114.554 -0.279 0.000 2.865 185 T HA 0.208 4.557 4.350 -0.001 0.000 0.294 185 T C 0.410 174.996 174.700 -0.190 0.000 1.119 185 T CA -0.955 61.030 62.100 -0.193 0.000 1.007 185 T CB 1.836 70.605 68.868 -0.165 0.000 1.225 185 T HN 0.167 nan 8.240 nan 0.000 0.515 186 K N 0.011 120.329 120.400 -0.136 0.000 2.283 186 K HA -0.022 4.297 4.320 -0.001 0.000 0.202 186 K C 0.312 176.837 176.600 -0.125 0.000 1.048 186 K CA 1.133 57.340 56.287 -0.134 0.000 0.948 186 K CB -0.156 32.291 32.500 -0.089 0.000 0.742 186 K HN 0.471 nan 8.250 nan 0.000 0.458 187 D N 1.515 121.849 120.400 -0.109 0.000 2.340 187 D HA -0.008 4.631 4.640 -0.001 0.000 0.217 187 D C -0.300 175.944 176.300 -0.093 0.000 1.081 187 D CA 0.055 54.004 54.000 -0.085 0.000 0.842 187 D CB -0.040 40.723 40.800 -0.062 0.000 0.934 187 D HN 0.199 nan 8.370 nan 0.000 0.511 188 D N 1.544 121.864 120.400 -0.134 0.000 2.531 188 D HA -0.093 4.546 4.640 -0.001 0.000 0.239 188 D C 0.858 177.144 176.300 -0.024 0.000 1.144 188 D CA 0.359 54.293 54.000 -0.110 0.000 0.869 188 D CB 0.806 41.498 40.800 -0.180 0.000 1.160 188 D HN -0.211 nan 8.370 nan 0.000 0.484 189 K N 2.669 123.069 120.400 -0.000 0.000 2.372 189 K HA 0.127 4.446 4.320 -0.001 0.000 0.200 189 K C 0.234 176.877 176.600 0.071 0.000 1.022 189 K CA -0.408 55.897 56.287 0.029 0.000 1.125 189 K CB -0.049 32.435 32.500 -0.027 0.000 0.855 189 K HN 0.408 nan 8.250 nan 0.000 0.524 190 N N 1.263 120.045 118.700 0.135 0.000 2.381 190 N HA 0.063 4.802 4.740 -0.001 0.000 0.241 190 N C 0.003 175.546 175.510 0.055 0.000 1.279 190 N CA 0.341 53.462 53.050 0.118 0.000 0.896 190 N CB 0.843 39.437 38.487 0.178 0.000 1.118 190 N HN 0.013 nan 8.380 nan 0.000 0.438 191 I N 2.302 122.792 120.570 -0.133 0.000 2.328 191 I HA 0.114 4.283 4.170 -0.001 0.000 0.287 191 I C 0.117 175.923 176.117 -0.518 0.000 1.012 191 I CA -0.892 60.256 61.300 -0.254 0.000 1.195 191 I CB 1.211 39.105 38.000 -0.176 0.000 1.350 191 I HN 0.239 nan 8.210 nan 0.000 0.464 192 L N 8.091 128.807 121.223 -0.844 0.000 2.513 192 L HA 0.151 4.490 4.340 -0.001 0.000 0.272 192 L C -0.002 176.566 176.870 -0.503 0.000 1.187 192 L CA 0.792 55.054 54.840 -0.964 0.000 0.895 192 L CB 0.199 41.488 42.059 -1.284 0.000 1.147 192 L HN 0.477 nan 8.230 nan 0.000 0.483 193 M N 5.584 124.940 119.600 -0.408 0.000 2.120 193 M HA 0.329 4.809 4.480 -0.001 0.000 0.354 193 M C 0.173 176.363 176.300 -0.184 0.000 1.287 193 M CA -0.080 55.067 55.300 -0.256 0.000 1.103 193 M CB 0.461 32.927 32.600 -0.222 0.000 1.623 193 M HN 0.836 nan 8.290 nan 0.000 0.471 194 T N 0.838 115.317 114.554 -0.126 0.000 2.838 194 T HA 0.564 4.914 4.350 -0.001 0.000 0.292 194 T C -2.465 172.215 174.700 -0.034 0.000 1.113 194 T CA -1.582 60.474 62.100 -0.074 0.000 1.008 194 T CB 1.936 70.763 68.868 -0.068 0.000 1.259 194 T HN 0.173 nan 8.240 nan 0.000 0.520 195 P HA -0.094 nan 4.420 nan 0.000 0.216 195 P C 1.677 179.004 177.300 0.045 0.000 1.153 195 P CA 2.097 65.212 63.100 0.025 0.000 0.858 195 P CB -0.390 31.325 31.700 0.025 0.000 0.789 196 A N -0.114 122.712 122.820 0.011 0.000 1.877 196 A HA -0.196 4.123 4.320 -0.001 0.000 0.216 196 A C 2.381 179.989 177.584 0.041 0.000 1.186 196 A CA 2.607 54.650 52.037 0.010 0.000 0.620 196 A CB -1.547 17.439 19.000 -0.023 0.000 0.822 196 A HN 0.356 nan 8.150 nan 0.000 0.443 197 S N -0.838 114.861 115.700 -0.001 0.000 2.414 197 S HA -0.074 4.395 4.470 -0.001 0.000 0.227 197 S C 1.995 176.591 174.600 -0.006 0.000 1.022 197 S CA 0.939 59.129 58.200 -0.017 0.000 0.958 197 S CB -0.368 62.783 63.200 -0.081 0.000 0.797 197 S HN 0.574 nan 8.310 nan 0.000 0.493 198 R N -0.107 120.389 120.500 -0.007 0.000 2.115 198 R HA 0.011 4.351 4.340 -0.001 0.000 0.230 198 R C 2.047 178.362 176.300 0.026 0.000 1.111 198 R CA 1.178 57.269 56.100 -0.016 0.000 0.976 198 R CB -0.438 29.847 30.300 -0.024 0.000 0.870 198 R HN 0.486 nan 8.270 nan 0.000 0.445 199 F N 0.682 120.606 119.950 -0.043 0.000 2.126 199 F HA -0.224 4.302 4.527 -0.001 0.000 0.299 199 F C 1.861 177.649 175.800 -0.020 0.000 1.096 199 F CA 1.462 59.443 58.000 -0.032 0.000 1.255 199 F CB -0.198 38.781 39.000 -0.036 0.000 0.997 199 F HN -0.206 nan 8.300 nan 0.000 0.479 200 V N -0.952 119.096 119.914 0.224 0.000 2.358 200 V HA -0.257 3.863 4.120 -0.001 0.000 0.246 200 V C 2.594 178.694 176.094 0.010 0.000 1.047 200 V CA 1.863 64.244 62.300 0.136 0.000 1.035 200 V CB -0.926 30.961 31.823 0.107 0.000 0.658 200 V HN 0.487 nan 8.190 nan 0.000 0.452 201 S N 0.629 116.318 115.700 -0.018 0.000 2.400 201 S HA -0.196 4.273 4.470 -0.001 0.000 0.232 201 S C 1.697 176.269 174.600 -0.047 0.000 1.025 201 S CA 1.833 60.010 58.200 -0.039 0.000 0.993 201 S CB -0.367 62.793 63.200 -0.068 0.000 0.808 201 S HN 0.663 nan 8.310 nan 0.000 0.478 202 N N 0.768 119.404 118.700 -0.106 0.000 2.299 202 N HA 0.309 5.049 4.740 -0.001 0.000 0.187 202 N C 1.505 176.891 175.510 -0.206 0.000 1.099 202 N CA 0.764 53.732 53.050 -0.136 0.000 0.867 202 N CB -0.313 38.053 38.487 -0.201 0.000 0.974 202 N HN 0.439 nan 8.380 nan 0.000 0.477 203 A N 1.327 124.004 122.820 -0.238 0.000 2.024 203 A HA -0.193 4.126 4.320 -0.001 0.000 0.220 203 A C 1.664 179.193 177.584 -0.093 0.000 1.164 203 A CA 1.785 53.682 52.037 -0.234 0.000 0.643 203 A CB -0.575 18.386 19.000 -0.066 0.000 0.806 203 A HN 0.487 nan 8.150 nan 0.000 0.451 204 D N -1.153 119.223 120.400 -0.041 0.000 2.371 204 D HA 0.104 4.743 4.640 -0.001 0.000 0.221 204 D C 0.695 176.993 176.300 -0.003 0.000 0.986 204 D CA 0.208 54.207 54.000 -0.002 0.000 0.899 204 D CB -0.183 40.632 40.800 0.025 0.000 0.902 204 D HN 0.446 nan 8.370 nan 0.000 0.530 205 L N 0.075 121.282 121.223 -0.027 0.000 2.448 205 L HA 0.462 4.801 4.340 -0.001 0.000 0.258 205 L C 0.236 177.074 176.870 -0.053 0.000 1.104 205 L CA -0.865 53.956 54.840 -0.032 0.000 0.800 205 L CB 1.209 43.249 42.059 -0.032 0.000 1.241 205 L HN 0.230 nan 8.230 nan 0.000 0.472 206 Q N -1.306 118.461 119.800 -0.056 0.000 2.756 206 Q HA 0.352 4.691 4.340 -0.001 0.000 0.295 206 Q C -1.690 174.280 176.000 -0.051 0.000 0.903 206 Q CA -0.939 54.839 55.803 -0.043 0.000 0.768 206 Q CB 1.492 30.216 28.738 -0.024 0.000 1.472 206 Q HN 0.416 nan 8.270 nan 0.000 0.416 207 T N 2.029 116.563 114.554 -0.033 0.000 2.743 207 T HA 0.456 4.805 4.350 -0.001 0.000 0.293 207 T C -0.037 174.639 174.700 -0.040 0.000 0.945 207 T CA -0.452 61.624 62.100 -0.040 0.000 1.030 207 T CB 0.092 68.949 68.868 -0.019 0.000 0.912 207 T HN 0.298 nan 8.240 nan 0.000 0.483 208 L N 5.917 127.107 121.223 -0.055 0.000 2.350 208 L HA 0.407 4.746 4.340 -0.001 0.000 0.275 208 L C -1.709 175.136 176.870 -0.041 0.000 1.099 208 L CA -2.329 52.483 54.840 -0.047 0.000 0.808 208 L CB 0.408 42.432 42.059 -0.058 0.000 1.149 208 L HN 0.366 nan 8.230 nan 0.000 0.442 209 P HA 0.001 nan 4.420 nan 0.000 0.269 209 P C 0.187 177.467 177.300 -0.033 0.000 1.209 209 P CA -0.193 62.891 63.100 -0.027 0.000 0.776 209 P CB 1.048 32.736 31.700 -0.020 0.000 0.876 210 A N 3.767 126.567 122.820 -0.033 0.000 1.948 210 A HA -0.153 4.166 4.320 -0.001 0.000 0.220 210 A C 2.338 179.901 177.584 -0.034 0.000 1.177 210 A CA 2.197 54.211 52.037 -0.038 0.000 0.636 210 A CB -1.835 17.143 19.000 -0.036 0.000 0.815 210 A HN 0.661 nan 8.150 nan 0.000 0.449 211 G N -1.076 107.708 108.800 -0.026 0.000 2.498 211 G HA2 0.080 4.040 3.960 -0.001 0.000 0.219 211 G HA3 0.080 4.040 3.960 -0.001 0.000 0.219 211 G C 1.298 176.185 174.900 -0.021 0.000 1.119 211 G CA 1.093 46.180 45.100 -0.021 0.000 0.766 211 G HN 0.898 nan 8.290 nan 0.000 0.552 212 A N -0.250 122.555 122.820 -0.025 0.000 2.275 212 A HA 0.488 4.807 4.320 -0.001 0.000 0.212 212 A C 1.123 178.688 177.584 -0.030 0.000 1.201 212 A CA 0.229 52.252 52.037 -0.023 0.000 0.843 212 A CB 0.172 19.158 19.000 -0.023 0.000 0.873 212 A HN 0.236 nan 8.150 nan 0.000 0.492 213 L N 0.201 121.400 121.223 -0.039 0.000 3.218 213 L HA 0.305 4.645 4.340 -0.001 0.000 0.279 213 L C 0.186 177.028 176.870 -0.047 0.000 1.287 213 L CA 0.269 55.079 54.840 -0.049 0.000 1.024 213 L CB -0.784 41.234 42.059 -0.068 0.000 1.409 213 L HN 0.316 nan 8.230 nan 0.000 0.580 214 R N -0.088 120.390 120.500 -0.038 0.000 2.441 214 R HA 0.431 4.770 4.340 -0.001 0.000 0.284 214 R C 1.079 177.355 176.300 -0.040 0.000 1.070 214 R CA 0.391 56.469 56.100 -0.038 0.000 1.047 214 R CB 0.666 30.948 30.300 -0.030 0.000 1.016 214 R HN 0.348 nan 8.270 nan 0.000 0.477 215 G N 2.227 111.002 108.800 -0.043 0.000 2.283 215 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.280 215 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.280 215 G C -0.362 174.517 174.900 -0.035 0.000 1.029 215 G CA 0.161 45.236 45.100 -0.042 0.000 0.840 215 G HN 0.373 nan 8.290 nan 0.000 0.505 216 K N 0.499 120.876 120.400 -0.038 0.000 2.244 216 K HA 0.468 4.788 4.320 -0.001 0.000 0.263 216 K C 0.746 177.326 176.600 -0.033 0.000 1.103 216 K CA -0.690 55.579 56.287 -0.030 0.000 0.966 216 K CB 0.654 33.133 32.500 -0.035 0.000 1.429 216 K HN 0.412 nan 8.250 nan 0.000 0.434 217 I N 1.816 122.374 120.570 -0.021 0.000 2.575 217 I HA 0.074 4.243 4.170 -0.001 0.000 0.285 217 I C 0.011 176.122 176.117 -0.010 0.000 1.085 217 I CA -0.526 60.758 61.300 -0.027 0.000 1.403 217 I CB 0.963 38.958 38.000 -0.009 0.000 1.409 217 I HN 0.056 nan 8.210 nan 0.000 0.557 218 V N 7.802 127.713 119.914 -0.005 0.000 2.487 218 V HA 0.353 4.472 4.120 -0.001 0.000 0.298 218 V C -2.224 173.894 176.094 0.040 0.000 1.028 218 V CA -1.715 60.633 62.300 0.080 0.000 0.860 218 V CB 1.765 33.652 31.823 0.107 0.000 0.991 218 V HN 0.578 nan 8.190 nan 0.000 0.427 219 P HA 0.178 nan 4.420 nan 0.000 0.272 219 P C -0.003 177.272 177.300 -0.042 0.000 1.223 219 P CA -0.132 62.985 63.100 0.029 0.000 0.784 219 P CB 0.242 31.916 31.700 -0.044 0.000 0.923 220 T N 4.595 119.146 114.554 -0.004 0.000 2.905 220 T HA 0.092 4.441 4.350 -0.001 0.000 0.299 220 T C -1.956 172.699 174.700 -0.074 0.000 1.024 220 T CA -0.227 61.764 62.100 -0.182 0.000 1.151 220 T CB -0.669 67.781 68.868 -0.698 0.000 0.987 220 T HN 0.380 nan 8.240 nan 0.000 0.535 221 P HA 0.236 nan 4.420 nan 0.000 0.281 221 P C 0.895 178.275 177.300 0.135 0.000 1.249 221 P CA -0.596 62.587 63.100 0.137 0.000 0.810 221 P CB 0.799 32.556 31.700 0.095 0.000 1.008 222 M N 0.194 119.897 119.600 0.172 0.000 2.080 222 M HA -0.152 4.327 4.480 -0.001 0.000 0.260 222 M C 0.752 177.098 176.300 0.077 0.000 1.068 222 M CA 2.100 57.473 55.300 0.122 0.000 1.109 222 M CB -0.285 32.341 32.600 0.043 0.000 1.342 222 M HN 0.423 nan 8.290 nan 0.000 0.405 223 Q N -0.337 119.491 119.800 0.046 0.000 2.305 223 Q HA 0.619 4.958 4.340 -0.001 0.000 0.271 223 Q C -1.390 174.628 176.000 0.030 0.000 1.046 223 Q CA -0.495 55.329 55.803 0.035 0.000 0.798 223 Q CB 3.397 32.150 28.738 0.025 0.000 1.286 223 Q HN 0.108 nan 8.270 nan 0.000 0.435 224 V N 1.893 121.821 119.914 0.024 0.000 2.924 224 V HA 0.578 4.698 4.120 -0.001 0.000 0.300 224 V C -2.043 174.041 176.094 -0.017 0.000 1.227 224 V CA -0.528 61.778 62.300 0.009 0.000 0.954 224 V CB 2.295 34.122 31.823 0.007 0.000 1.055 224 V HN 0.593 nan 8.190 nan 0.000 0.429 225 K N 5.298 125.665 120.400 -0.055 0.000 2.559 225 K HA 0.541 4.861 4.320 -0.001 0.000 0.249 225 K C -0.894 175.467 176.600 -0.398 0.000 0.958 225 K CA -0.442 55.771 56.287 -0.123 0.000 0.901 225 K CB 1.185 33.677 32.500 -0.014 0.000 1.124 225 K HN 1.114 nan 8.250 nan 0.000 0.437 226 V N 3.054 122.773 119.914 -0.325 0.000 2.546 226 V HA 0.579 4.699 4.120 -0.001 0.000 0.284 226 V C -0.154 175.669 176.094 -0.452 0.000 1.050 226 V CA -0.214 61.853 62.300 -0.388 0.000 0.981 226 V CB 0.740 32.470 31.823 -0.155 0.000 0.990 226 V HN 0.687 nan 8.190 nan 0.000 0.474 227 H N 3.763 122.846 119.070 0.022 0.000 2.595 227 H HA 0.622 5.177 4.556 -0.001 0.000 0.346 227 H C 1.119 176.456 175.328 0.014 0.000 1.181 227 H CA -0.251 55.808 56.048 0.019 0.000 1.242 227 H CB 1.999 31.775 29.762 0.023 0.000 1.652 227 H HN 0.796 nan 8.280 nan 0.000 0.548 228 A N 1.037 123.939 122.820 0.136 0.000 2.125 228 A HA -0.114 4.206 4.320 -0.001 0.000 0.219 228 A C 0.893 178.514 177.584 0.061 0.000 1.156 228 A CA 0.939 53.018 52.037 0.070 0.000 0.671 228 A CB -0.509 18.524 19.000 0.055 0.000 0.794 228 A HN 0.713 nan 8.150 nan 0.000 0.459 229 Q N -0.382 119.470 119.800 0.086 0.000 2.297 229 Q HA 0.560 4.900 4.340 -0.001 0.000 0.268 229 Q C -1.750 174.278 176.000 0.046 0.000 1.045 229 Q CA -1.071 54.765 55.803 0.056 0.000 0.861 229 Q CB 1.266 30.035 28.738 0.052 0.000 1.344 229 Q HN 0.124 nan 8.270 nan 0.000 0.452 230 D N 0.889 121.302 120.400 0.021 0.000 2.168 230 D HA 0.455 5.094 4.640 -0.001 0.000 0.246 230 D C -0.615 175.676 176.300 -0.015 0.000 1.050 230 D CA -0.299 53.700 54.000 -0.003 0.000 0.857 230 D CB 1.765 42.552 40.800 -0.022 0.000 1.169 230 D HN 0.711 nan 8.370 nan 0.000 0.453 231 A N 1.648 124.435 122.820 -0.054 0.000 2.386 231 A HA 0.248 4.567 4.320 -0.001 0.000 0.248 231 A C 0.012 177.483 177.584 -0.189 0.000 1.082 231 A CA -0.140 51.818 52.037 -0.131 0.000 0.789 231 A CB 0.394 19.182 19.000 -0.352 0.000 1.025 231 A HN 0.424 nan 8.150 nan 0.000 0.490 232 D N 1.450 121.746 120.400 -0.173 0.000 2.441 232 D HA 0.424 5.064 4.640 -0.001 0.000 0.231 232 D C 0.284 176.487 176.300 -0.163 0.000 1.073 232 D CA -0.215 53.712 54.000 -0.123 0.000 0.850 232 D CB 0.594 41.372 40.800 -0.037 0.000 1.062 232 D HN 0.347 nan 8.370 nan 0.000 0.524 233 L N 3.460 124.575 121.223 -0.179 0.000 2.628 233 L HA 0.227 4.566 4.340 -0.001 0.000 0.229 233 L C 1.928 178.773 176.870 -0.041 0.000 1.137 233 L CA -0.154 54.608 54.840 -0.129 0.000 0.909 233 L CB 0.034 42.019 42.059 -0.123 0.000 1.137 233 L HN 0.166 nan 8.230 nan 0.000 0.470 234 R N 1.652 122.130 120.500 -0.036 0.000 2.159 234 R HA -0.141 4.198 4.340 -0.001 0.000 0.237 234 R C 1.625 177.922 176.300 -0.005 0.000 1.131 234 R CA 1.116 57.205 56.100 -0.017 0.000 0.982 234 R CB -0.335 29.954 30.300 -0.018 0.000 0.868 234 R HN 0.439 nan 8.270 nan 0.000 0.453 235 K N 0.457 120.858 120.400 0.001 0.000 2.469 235 K HA 0.245 4.564 4.320 -0.001 0.000 0.201 235 K C 0.274 176.878 176.600 0.008 0.000 1.028 235 K CA 0.448 56.739 56.287 0.007 0.000 1.170 235 K CB 0.524 33.031 32.500 0.012 0.000 0.874 235 K HN 0.202 nan 8.250 nan 0.000 0.507 236 G N 0.622 109.426 108.800 0.007 0.000 2.663 236 G HA2 -0.131 3.828 3.960 -0.001 0.000 0.686 236 G HA3 -0.131 3.828 3.960 -0.001 0.000 0.686 236 G C -0.656 174.246 174.900 0.003 0.000 1.288 236 G CA -0.528 44.569 45.100 -0.004 0.000 0.836 236 G HN 0.535 nan 8.290 nan 0.000 0.584 237 V N -2.326 117.552 119.914 -0.060 0.000 2.864 237 V HA 0.992 5.111 4.120 -0.001 0.000 0.314 237 V C 0.483 176.501 176.094 -0.126 0.000 1.073 237 V CA -0.244 62.014 62.300 -0.070 0.000 0.956 237 V CB 1.774 33.461 31.823 -0.227 0.000 1.023 237 V HN 2.659 nan 8.190 nan 0.000 0.435 238 A N 4.780 127.539 122.820 -0.102 0.000 2.273 238 A HA 0.777 5.096 4.320 -0.001 0.000 0.320 238 A C -0.444 177.054 177.584 -0.143 0.000 1.358 238 A CA -0.549 51.419 52.037 -0.115 0.000 0.910 238 A CB 0.048 18.994 19.000 -0.090 0.000 1.159 238 A HN 0.937 nan 8.150 nan 0.000 0.526 239 L N 2.711 123.835 121.223 -0.166 0.000 2.255 239 L HA 0.261 4.600 4.340 -0.001 0.000 0.289 239 L C -0.259 176.551 176.870 -0.100 0.000 1.046 239 L CA -0.631 54.110 54.840 -0.165 0.000 0.816 239 L CB 1.238 43.164 42.059 -0.222 0.000 1.197 239 L HN 0.732 nan 8.230 nan 0.000 0.427 240 D N 5.135 125.488 120.400 -0.077 0.000 2.468 240 D HA 0.196 4.835 4.640 -0.001 0.000 0.218 240 D C 0.251 176.530 176.300 -0.034 0.000 1.155 240 D CA -0.084 53.886 54.000 -0.051 0.000 0.924 240 D CB 0.599 41.373 40.800 -0.043 0.000 1.029 240 D HN 0.409 nan 8.370 nan 0.000 0.515 241 L N 2.871 124.075 121.223 -0.031 0.000 2.928 241 L HA 0.109 4.448 4.340 -0.001 0.000 0.246 241 L C 1.794 178.659 176.870 -0.008 0.000 1.239 241 L CA -0.180 54.651 54.840 -0.014 0.000 1.035 241 L CB -0.029 42.023 42.059 -0.013 0.000 1.360 241 L HN 0.343 nan 8.230 nan 0.000 0.529 242 S N -2.054 113.639 115.700 -0.011 0.000 2.507 242 S HA -0.140 4.329 4.470 -0.001 0.000 0.235 242 S C 1.920 176.517 174.600 -0.005 0.000 0.988 242 S CA 1.150 59.344 58.200 -0.010 0.000 0.944 242 S CB -0.589 62.603 63.200 -0.012 0.000 0.762 242 S HN 0.573 nan 8.310 nan 0.000 0.526 243 T N 0.170 114.725 114.554 0.002 0.000 3.035 243 T HA 0.273 4.622 4.350 -0.001 0.000 0.268 243 T C 0.581 175.284 174.700 0.004 0.000 1.109 243 T CA 0.160 62.264 62.100 0.006 0.000 1.119 243 T CB -0.518 68.361 68.868 0.018 0.000 0.900 243 T HN 0.349 nan 8.240 nan 0.000 0.503 244 L N 1.727 122.954 121.223 0.007 0.000 2.322 244 L HA 0.523 4.862 4.340 -0.001 0.000 0.279 244 L C 0.064 176.929 176.870 -0.009 0.000 1.036 244 L CA -1.379 53.463 54.840 0.005 0.000 0.807 244 L CB 1.894 43.972 42.059 0.032 0.000 1.226 244 L HN -0.081 nan 8.230 nan 0.000 0.433 245 V N 2.306 122.206 119.914 -0.024 0.000 2.963 245 V HA -0.074 4.045 4.120 -0.001 0.000 0.306 245 V C 1.382 177.460 176.094 -0.028 0.000 1.077 245 V CA 0.050 62.333 62.300 -0.029 0.000 1.124 245 V CB 1.110 32.910 31.823 -0.039 0.000 0.987 245 V HN 0.784 nan 8.190 nan 0.000 0.487 246 K N 5.354 125.739 120.400 -0.025 0.000 2.059 246 K HA -0.174 4.145 4.320 -0.001 0.000 0.212 246 K C -0.750 175.832 176.600 -0.030 0.000 1.050 246 K CA 2.482 58.755 56.287 -0.023 0.000 0.927 246 K CB -1.167 31.320 32.500 -0.021 0.000 0.714 246 K HN 0.610 nan 8.250 nan 0.000 0.447 247 P HA -0.132 nan 4.420 nan 0.000 0.216 247 P C 0.791 178.047 177.300 -0.074 0.000 1.150 247 P CA 1.944 65.002 63.100 -0.069 0.000 0.837 247 P CB -0.105 31.543 31.700 -0.088 0.000 0.786 248 A N -0.056 122.724 122.820 -0.066 0.000 1.897 248 A HA 0.007 4.326 4.320 -0.001 0.000 0.215 248 A C 2.339 179.974 177.584 0.085 0.000 1.181 248 A CA 1.784 53.803 52.037 -0.030 0.000 0.620 248 A CB -1.540 17.407 19.000 -0.089 0.000 0.821 248 A HN 0.177 nan 8.150 nan 0.000 0.443 249 A N 0.322 123.166 122.820 0.039 0.000 1.908 249 A HA -0.216 4.103 4.320 -0.001 0.000 0.218 249 A C 1.758 179.361 177.584 0.031 0.000 1.181 249 A CA 1.997 54.058 52.037 0.040 0.000 0.627 249 A CB -0.651 18.355 19.000 0.010 0.000 0.818 249 A HN 0.444 nan 8.150 nan 0.000 0.445 250 D N -0.265 120.138 120.400 0.006 0.000 2.123 250 D HA -0.112 4.528 4.640 -0.001 0.000 0.196 250 D C 2.049 178.349 176.300 -0.000 0.000 0.992 250 D CA 1.407 55.404 54.000 -0.005 0.000 0.833 250 D CB -0.500 40.285 40.800 -0.024 0.000 0.954 250 D HN 0.212 nan 8.370 nan 0.000 0.455 251 V N 0.611 120.527 119.914 0.004 0.000 2.332 251 V HA -0.229 3.891 4.120 -0.001 0.000 0.248 251 V C 2.618 178.726 176.094 0.022 0.000 1.055 251 V CA 1.139 63.446 62.300 0.011 0.000 1.038 251 V CB -0.470 31.401 31.823 0.080 0.000 0.651 251 V HN 0.075 nan 8.190 nan 0.000 0.450 252 V N -0.118 119.823 119.914 0.046 0.000 2.307 252 V HA -0.218 3.901 4.120 -0.001 0.000 0.245 252 V C 2.533 178.718 176.094 0.151 0.000 1.045 252 V CA 2.212 64.521 62.300 0.014 0.000 1.024 252 V CB -0.750 31.088 31.823 0.025 0.000 0.651 252 V HN 0.578 nan 8.190 nan 0.000 0.449 253 S N -0.397 115.367 115.700 0.107 0.000 2.365 253 S HA -0.275 4.195 4.470 -0.001 0.000 0.225 253 S C 1.990 176.655 174.600 0.107 0.000 1.039 253 S CA 1.433 59.694 58.200 0.101 0.000 1.033 253 S CB -0.392 62.822 63.200 0.024 0.000 0.887 253 S HN 0.561 nan 8.310 nan 0.000 0.447 254 Q N 0.639 120.468 119.800 0.049 0.000 2.170 254 Q HA -0.029 4.310 4.340 -0.001 0.000 0.203 254 Q C 2.316 178.321 176.000 0.008 0.000 0.976 254 Q CA 1.103 56.919 55.803 0.023 0.000 0.858 254 Q CB -0.292 28.446 28.738 -0.000 0.000 0.907 254 Q HN 0.509 nan 8.270 nan 0.000 0.433 255 R N -0.300 120.185 120.500 -0.025 0.000 2.090 255 R HA -0.065 4.274 4.340 -0.001 0.000 0.228 255 R C 2.050 178.258 176.300 -0.153 0.000 1.110 255 R CA 0.737 56.762 56.100 -0.126 0.000 0.973 255 R CB -0.193 29.969 30.300 -0.230 0.000 0.869 255 R HN 0.079 nan 8.270 nan 0.000 0.440 256 F N 0.495 120.386 119.950 -0.098 0.000 2.126 256 F HA -0.162 4.364 4.527 -0.001 0.000 0.299 256 F C 2.452 178.211 175.800 -0.067 0.000 1.096 256 F CA 1.592 59.541 58.000 -0.085 0.000 1.255 256 F CB -0.490 38.467 39.000 -0.072 0.000 0.997 256 F HN 0.181 nan 8.300 nan 0.000 0.479 257 A N -0.311 122.584 122.820 0.125 0.000 1.898 257 A HA -0.164 4.155 4.320 -0.001 0.000 0.216 257 A C 2.079 179.668 177.584 0.009 0.000 1.181 257 A CA 1.447 53.517 52.037 0.055 0.000 0.620 257 A CB -1.117 17.906 19.000 0.038 0.000 0.819 257 A HN 0.346 nan 8.150 nan 0.000 0.442 258 L N -0.187 121.025 121.223 -0.018 0.000 2.079 258 L HA -0.093 4.246 4.340 -0.001 0.000 0.210 258 L C 1.870 178.706 176.870 -0.056 0.000 1.081 258 L CA 1.655 56.470 54.840 -0.042 0.000 0.752 258 L CB -0.282 41.740 42.059 -0.063 0.000 0.896 258 L HN 0.403 nan 8.230 nan 0.000 0.433 259 L N -0.639 120.537 121.223 -0.078 0.000 2.627 259 L HA 0.201 4.540 4.340 -0.001 0.000 0.233 259 L C 1.423 178.263 176.870 -0.050 0.000 1.144 259 L CA 0.575 55.360 54.840 -0.092 0.000 0.892 259 L CB -0.966 40.992 42.059 -0.168 0.000 1.039 259 L HN 0.586 nan 8.230 nan 0.000 0.442 260 G N 0.325 109.113 108.800 -0.019 0.000 2.143 260 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.249 260 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.249 260 G C 0.092 175.003 174.900 0.018 0.000 0.981 260 G CA -0.014 45.083 45.100 -0.005 0.000 0.665 260 G HN 0.143 nan 8.290 nan 0.000 0.528 261 V N 2.176 122.125 119.914 0.059 0.000 2.311 261 V HA 0.415 4.534 4.120 -0.001 0.000 0.275 261 V C -1.571 174.576 176.094 0.089 0.000 1.022 261 V CA -1.688 60.673 62.300 0.103 0.000 0.830 261 V CB 1.474 33.448 31.823 0.251 0.000 1.012 261 V HN 0.131 nan 8.190 nan 0.000 0.452 262 P HA 0.079 nan 4.420 nan 0.000 0.267 262 P C -0.537 176.749 177.300 -0.023 0.000 1.200 262 P CA 0.087 63.192 63.100 0.009 0.000 0.772 262 P CB 0.614 32.313 31.700 -0.001 0.000 0.855 263 V N 4.082 123.973 119.914 -0.038 0.000 2.313 263 V HA 0.304 4.423 4.120 -0.001 0.000 0.278 263 V C 0.136 176.191 176.094 -0.064 0.000 1.017 263 V CA -0.077 62.170 62.300 -0.088 0.000 0.823 263 V CB 0.459 32.218 31.823 -0.105 0.000 1.010 263 V HN 0.613 nan 8.190 nan 0.000 0.443 264 Q N 1.817 121.578 119.800 -0.065 0.000 2.421 264 Q HA 0.492 4.831 4.340 -0.001 0.000 0.280 264 Q C 0.700 176.670 176.000 -0.050 0.000 1.085 264 Q CA -0.398 55.377 55.803 -0.046 0.000 0.807 264 Q CB 1.581 30.301 28.738 -0.030 0.000 1.405 264 Q HN 0.498 nan 8.270 nan 0.000 0.419 265 T N -1.893 112.636 114.554 -0.042 0.000 2.929 265 T HA -0.052 4.297 4.350 -0.001 0.000 0.271 265 T C 0.611 175.288 174.700 -0.039 0.000 1.085 265 T CA 1.308 63.383 62.100 -0.043 0.000 1.125 265 T CB -0.289 68.557 68.868 -0.036 0.000 0.874 265 T HN 0.561 nan 8.240 nan 0.000 0.494 266 N N 1.552 120.234 118.700 -0.030 0.000 2.251 266 N HA 0.325 5.064 4.740 -0.001 0.000 0.217 266 N C 0.738 176.239 175.510 -0.015 0.000 1.124 266 N CA -0.034 53.002 53.050 -0.024 0.000 0.843 266 N CB 0.442 38.919 38.487 -0.017 0.000 1.024 266 N HN 0.624 nan 8.380 nan 0.000 0.501 267 G N -0.661 108.128 108.800 -0.019 0.000 2.525 267 G HA2 0.117 4.077 3.960 -0.001 0.000 0.287 267 G HA3 0.117 4.077 3.960 -0.001 0.000 0.287 267 G C -0.841 174.079 174.900 0.033 0.000 1.350 267 G CA -0.487 44.619 45.100 0.011 0.000 1.039 267 G HN 0.255 nan 8.290 nan 0.000 0.513 268 Y N 1.412 121.678 120.300 -0.056 0.000 2.650 268 Y HA 0.319 4.868 4.550 -0.001 0.000 0.342 268 Y C -1.966 173.895 175.900 -0.065 0.000 1.110 268 Y CA -1.871 56.201 58.100 -0.047 0.000 1.438 268 Y CB 0.331 38.772 38.460 -0.032 0.000 1.181 268 Y HN 0.112 nan 8.280 nan 0.000 0.526 269 P HA 0.075 nan 4.420 nan 0.000 0.265 269 P C -0.866 176.224 177.300 -0.350 0.000 1.187 269 P CA 0.823 63.718 63.100 -0.341 0.000 0.766 269 P CB 0.430 31.958 31.700 -0.288 0.000 0.820 270 I N 2.873 123.346 120.570 -0.162 0.000 2.560 270 I HA 0.217 4.386 4.170 -0.001 0.000 0.278 270 I C 0.192 176.273 176.117 -0.060 0.000 1.089 270 I CA -0.616 60.641 61.300 -0.073 0.000 1.086 270 I CB 1.178 39.175 38.000 -0.005 0.000 1.202 270 I HN 0.077 nan 8.210 nan 0.000 0.471 271 K N 3.605 123.976 120.400 -0.050 0.000 2.144 271 K HA 0.621 4.940 4.320 -0.001 0.000 0.270 271 K C 0.152 176.754 176.600 0.003 0.000 1.005 271 K CA -0.432 55.837 56.287 -0.030 0.000 0.932 271 K CB 1.527 34.008 32.500 -0.031 0.000 1.021 271 K HN 0.591 nan 8.250 nan 0.000 0.462 272 T N -1.214 113.345 114.554 0.007 0.000 2.900 272 T HA 0.516 4.866 4.350 -0.001 0.000 0.295 272 T C -1.064 173.657 174.700 0.034 0.000 1.044 272 T CA -0.966 61.152 62.100 0.031 0.000 0.995 272 T CB 1.824 70.709 68.868 0.028 0.000 1.072 272 T HN 0.353 nan 8.240 nan 0.000 0.473 273 D N 0.657 121.092 120.400 0.059 0.000 2.655 273 D HA 0.508 5.147 4.640 -0.001 0.000 0.229 273 D C -1.008 175.345 176.300 0.089 0.000 1.229 273 D CA -0.461 53.574 54.000 0.058 0.000 0.807 273 D CB 2.135 42.965 40.800 0.051 0.000 1.514 273 D HN 0.687 nan 8.370 nan 0.000 0.444 274 I N 2.073 122.684 120.570 0.068 0.000 2.410 274 I HA 0.253 4.422 4.170 -0.001 0.000 0.286 274 I C -0.729 175.422 176.117 0.056 0.000 1.009 274 I CA -0.527 60.816 61.300 0.072 0.000 1.111 274 I CB 1.269 39.279 38.000 0.017 0.000 1.262 274 I HN 0.147 nan 8.210 nan 0.000 0.443 275 Q N 6.783 126.653 119.800 0.117 0.000 2.650 275 Q HA 0.308 4.647 4.340 -0.001 0.000 0.239 275 Q C -2.795 173.313 176.000 0.179 0.000 0.893 275 Q CA -1.685 54.168 55.803 0.084 0.000 0.755 275 Q CB 2.041 30.814 28.738 0.059 0.000 1.349 275 Q HN 0.257 nan 8.270 nan 0.000 0.461 276 P HA -0.184 nan 4.420 nan 0.000 0.215 276 P C 1.508 178.970 177.300 0.269 0.000 1.153 276 P CA 2.081 65.143 63.100 -0.062 0.000 0.853 276 P CB -0.054 31.302 31.700 -0.572 0.000 0.788 277 G N 0.404 109.272 108.800 0.114 0.000 2.485 277 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.221 277 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.221 277 G C 1.596 176.539 174.900 0.071 0.000 1.115 277 G CA 0.530 45.689 45.100 0.098 0.000 0.751 277 G HN 0.246 nan 8.290 nan 0.000 0.567 278 K N -0.392 120.013 120.400 0.008 0.000 2.504 278 K HA 0.063 4.383 4.320 -0.001 0.000 0.195 278 K C -0.402 175.912 176.600 -0.478 0.000 1.036 278 K CA 0.217 56.342 56.287 -0.271 0.000 0.984 278 K CB -0.095 32.128 32.500 -0.462 0.000 0.788 278 K HN 0.364 nan 8.250 nan 0.000 0.488 279 F N 0.354 120.388 119.950 0.140 0.000 2.495 279 F HA 0.359 4.886 4.527 -0.001 0.000 0.327 279 F C 0.054 175.919 175.800 0.109 0.000 1.103 279 F CA -0.977 57.109 58.000 0.143 0.000 0.949 279 F CB 1.636 40.783 39.000 0.246 0.000 1.142 279 F HN -0.430 nan 8.300 nan 0.000 0.457 280 K N 0.707 121.228 120.400 0.203 0.000 2.435 280 K HA 0.749 5.068 4.320 -0.001 0.000 0.251 280 K C 0.305 176.948 176.600 0.072 0.000 0.954 280 K CA -0.164 56.192 56.287 0.115 0.000 0.820 280 K CB 2.101 34.637 32.500 0.061 0.000 1.292 280 K HN 0.773 nan 8.250 nan 0.000 0.436 281 G N 1.029 109.853 108.800 0.039 0.000 2.550 281 G HA2 -0.371 3.588 3.960 -0.001 0.000 0.277 281 G HA3 -0.371 3.588 3.960 -0.001 0.000 0.277 281 G C 0.876 175.759 174.900 -0.029 0.000 1.190 281 G CA 0.376 45.477 45.100 0.002 0.000 0.971 281 G HN 0.760 nan 8.290 nan 0.000 0.559 282 A N -0.990 121.798 122.820 -0.054 0.000 2.070 282 A HA 0.154 4.474 4.320 -0.001 0.000 0.220 282 A C 2.388 179.898 177.584 -0.123 0.000 1.159 282 A CA 2.614 54.590 52.037 -0.102 0.000 0.656 282 A CB -0.373 18.558 19.000 -0.115 0.000 0.800 282 A HN 0.653 nan 8.150 nan 0.000 0.453 283 M N -0.699 118.867 119.600 -0.056 0.000 2.595 283 M HA 0.135 4.614 4.480 -0.001 0.000 0.248 283 M C 1.233 177.498 176.300 -0.059 0.000 1.119 283 M CA 0.679 55.965 55.300 -0.023 0.000 1.079 283 M CB -0.776 31.895 32.600 0.118 0.000 1.472 283 M HN 0.373 nan 8.290 nan 0.000 0.501 284 A N 2.185 124.954 122.820 -0.087 0.000 3.091 284 A HA 0.469 4.788 4.320 -0.001 0.000 0.264 284 A C 0.291 177.449 177.584 -0.711 0.000 1.673 284 A CA -0.391 51.532 52.037 -0.190 0.000 1.362 284 A CB -0.781 18.273 19.000 0.090 0.000 1.137 284 A HN 0.246 nan 8.150 nan 0.000 0.617 285 V N -2.023 117.277 119.914 -1.023 0.000 3.114 285 V HA 0.717 4.837 4.120 -0.001 0.000 0.308 285 V C 0.196 175.729 176.094 -0.935 0.000 1.168 285 V CA -0.652 61.096 62.300 -0.920 0.000 1.015 285 V CB 1.142 32.694 31.823 -0.451 0.000 1.050 285 V HN 0.454 nan 8.190 nan 0.000 0.433 286 S N 1.637 117.044 115.700 -0.488 0.000 2.563 286 S HA 0.428 4.898 4.470 -0.001 0.000 0.294 286 S C 1.486 176.099 174.600 0.021 0.000 1.279 286 S CA 1.537 59.699 58.200 -0.062 0.000 1.069 286 S CB -0.246 62.993 63.200 0.064 0.000 0.828 286 S HN 2.893 nan 8.310 nan 0.000 0.497 287 G N 2.681 111.595 108.800 0.191 0.000 2.195 287 G HA2 -0.119 3.840 3.960 -0.001 0.000 0.246 287 G HA3 -0.119 3.840 3.960 -0.001 0.000 0.246 287 G C 0.291 175.478 174.900 0.478 0.000 0.984 287 G CA 0.089 45.474 45.100 0.474 0.000 0.633 287 G HN 1.478 nan 8.290 nan 0.000 0.525 288 A N -0.096 122.776 122.820 0.087 0.000 2.386 288 A HA 0.783 5.102 4.320 -0.001 0.000 0.248 288 A C -0.119 177.498 177.584 0.054 0.000 1.082 288 A CA 0.821 52.833 52.037 -0.042 0.000 0.789 288 A CB 0.244 18.967 19.000 -0.461 0.000 1.025 288 A HN 1.924 nan 8.150 nan 0.000 0.490 289 Y N -1.842 118.543 120.300 0.141 0.000 2.656 289 Y HA 0.702 5.251 4.550 -0.001 0.000 0.334 289 Y C -0.923 175.273 175.900 0.493 0.000 1.179 289 Y CA -1.176 57.129 58.100 0.342 0.000 1.050 289 Y CB 0.937 39.560 38.460 0.271 0.000 1.308 289 Y HN 0.612 nan 8.280 nan 0.000 0.456 290 E N 2.018 122.570 120.200 0.587 0.000 2.187 290 E HA 0.568 4.917 4.350 -0.001 0.000 0.268 290 E C -1.901 174.929 176.600 0.383 0.000 0.896 290 E CA -1.066 55.530 56.400 0.326 0.000 0.766 290 E CB 2.951 32.755 29.700 0.174 0.000 1.142 290 E HN 0.636 nan 8.360 nan 0.000 0.408 291 L N 2.663 124.078 121.223 0.319 0.000 2.409 291 L HA 0.454 4.793 4.340 -0.001 0.000 0.272 291 L C -1.364 175.623 176.870 0.195 0.000 0.980 291 L CA -0.395 54.624 54.840 0.297 0.000 0.826 291 L CB 1.462 43.760 42.059 0.399 0.000 1.268 291 L HN 0.360 nan 8.230 nan 0.000 0.407 292 K N 5.893 126.390 120.400 0.162 0.000 2.450 292 K HA 0.593 4.913 4.320 -0.001 0.000 0.257 292 K C -1.542 175.149 176.600 0.151 0.000 0.953 292 K CA -0.474 55.899 56.287 0.144 0.000 0.844 292 K CB 1.079 33.645 32.500 0.110 0.000 1.103 292 K HN 0.739 nan 8.250 nan 0.000 0.429 293 I N 4.099 124.770 120.570 0.167 0.000 2.359 293 I HA 0.317 4.486 4.170 -0.001 0.000 0.284 293 I C 0.491 176.730 176.117 0.202 0.000 1.018 293 I CA -0.647 60.770 61.300 0.195 0.000 1.173 293 I CB 1.661 39.750 38.000 0.149 0.000 1.326 293 I HN 0.707 nan 8.210 nan 0.000 0.462 294 G N 3.844 112.775 108.800 0.218 0.000 2.521 294 G HA2 0.296 4.255 3.960 -0.001 0.000 0.323 294 G HA3 0.296 4.255 3.960 -0.001 0.000 0.323 294 G C 0.500 175.540 174.900 0.234 0.000 1.211 294 G CA -0.525 44.677 45.100 0.171 0.000 0.979 294 G HN 0.668 nan 8.290 nan 0.000 0.490 295 K N -0.994 119.501 120.400 0.159 0.000 2.432 295 K HA 0.122 4.441 4.320 -0.001 0.000 0.196 295 K C 1.407 178.149 176.600 0.238 0.000 1.038 295 K CA 1.306 57.697 56.287 0.173 0.000 0.986 295 K CB 0.102 32.658 32.500 0.094 0.000 0.782 295 K HN 0.400 nan 8.250 nan 0.000 0.485 296 K N -0.000 120.500 120.400 0.166 0.000 2.464 296 K HA 0.107 4.427 4.320 -0.001 0.000 0.206 296 K C -0.337 176.090 176.600 -0.289 0.000 1.186 296 K CA 0.086 56.405 56.287 0.053 0.000 0.990 296 K CB 0.983 33.479 32.500 -0.007 0.000 1.003 296 K HN 0.368 nan 8.250 nan 0.000 0.562 297 E N 0.206 120.212 120.200 -0.323 0.000 2.423 297 E HA 0.664 5.014 4.350 -0.001 0.000 0.280 297 E C -1.730 174.688 176.600 -0.304 0.000 1.030 297 E CA -1.198 54.802 56.400 -0.666 0.000 0.812 297 E CB 1.726 31.216 29.700 -0.350 0.000 1.313 297 E HN -0.024 nan 8.360 nan 0.000 0.456 298 A N 1.138 123.797 122.820 -0.268 0.000 2.423 298 A HA 0.636 4.956 4.320 -0.001 0.000 0.304 298 A C -1.132 176.465 177.584 0.021 0.000 1.104 298 A CA -0.648 51.427 52.037 0.064 0.000 0.757 298 A CB 2.171 21.351 19.000 0.299 0.000 1.313 298 A HN 0.500 nan 8.150 nan 0.000 0.423 299 Q N 0.562 120.405 119.800 0.071 0.000 2.285 299 Q HA 0.550 4.889 4.340 -0.001 0.000 0.269 299 Q C -1.895 174.169 176.000 0.106 0.000 1.030 299 Q CA -0.501 55.340 55.803 0.065 0.000 0.788 299 Q CB 2.553 31.325 28.738 0.056 0.000 1.266 299 Q HN 0.544 nan 8.270 nan 0.000 0.438 300 V N 5.071 125.045 119.914 0.102 0.000 2.407 300 V HA 0.510 4.630 4.120 -0.001 0.000 0.291 300 V C -0.363 175.830 176.094 0.165 0.000 1.018 300 V CA -0.500 61.886 62.300 0.143 0.000 0.842 300 V CB 1.624 33.500 31.823 0.088 0.000 0.996 300 V HN 0.650 nan 8.190 nan 0.000 0.426 301 I N 4.305 125.022 120.570 0.246 0.000 2.355 301 I HA 0.624 4.793 4.170 -0.001 0.000 0.288 301 I C 0.749 177.143 176.117 0.462 0.000 0.999 301 I CA -0.243 61.224 61.300 0.279 0.000 1.163 301 I CB 1.765 39.895 38.000 0.216 0.000 1.316 301 I HN 0.700 nan 8.210 nan 0.000 0.454 302 G N 3.536 112.550 108.800 0.356 0.000 2.400 302 G HA2 0.320 4.280 3.960 -0.001 0.000 0.333 302 G HA3 0.320 4.280 3.960 -0.001 0.000 0.333 302 G C 0.010 175.062 174.900 0.253 0.000 1.143 302 G CA -0.450 44.841 45.100 0.319 0.000 0.914 302 G HN 0.638 nan 8.290 nan 0.000 0.480 303 F N 1.090 120.886 119.950 -0.257 0.000 2.216 303 F HA 0.063 4.589 4.527 -0.001 0.000 0.300 303 F C 0.780 176.549 175.800 -0.053 0.000 1.085 303 F CA 1.619 59.416 58.000 -0.338 0.000 1.326 303 F CB 0.323 38.948 39.000 -0.626 0.000 1.027 303 F HN 0.560 nan 8.300 nan 0.000 0.497 304 D N -2.362 118.084 120.400 0.077 0.000 2.838 304 D HA 0.069 4.708 4.640 -0.001 0.000 0.334 304 D C 0.496 176.824 176.300 0.047 0.000 1.315 304 D CA -0.505 53.510 54.000 0.024 0.000 0.917 304 D CB 0.283 41.155 40.800 0.119 0.000 1.435 304 D HN 0.065 nan 8.370 nan 0.000 0.517 305 Q N -0.532 119.274 119.800 0.012 0.000 2.084 305 Q HA -0.076 4.263 4.340 -0.001 0.000 0.202 305 Q C 2.022 178.003 176.000 -0.032 0.000 0.978 305 Q CA 2.059 57.858 55.803 -0.007 0.000 0.844 305 Q CB -0.276 28.439 28.738 -0.038 0.000 0.898 305 Q HN 0.593 nan 8.270 nan 0.000 0.426 306 A N 0.791 123.566 122.820 -0.074 0.000 1.940 306 A HA -0.139 4.180 4.320 -0.001 0.000 0.219 306 A C 2.246 179.725 177.584 -0.174 0.000 1.176 306 A CA 1.698 53.593 52.037 -0.235 0.000 0.631 306 A CB -1.106 17.793 19.000 -0.168 0.000 0.814 306 A HN 0.498 nan 8.150 nan 0.000 0.446 307 G N -0.633 108.217 108.800 0.083 0.000 2.418 307 G HA2 -0.092 3.867 3.960 -0.001 0.000 0.217 307 G HA3 -0.092 3.867 3.960 -0.001 0.000 0.217 307 G C 1.517 176.516 174.900 0.166 0.000 1.158 307 G CA 1.182 46.427 45.100 0.242 0.000 0.771 307 G HN 0.309 nan 8.290 nan 0.000 0.545 308 V N 0.370 120.347 119.914 0.104 0.000 2.261 308 V HA -0.156 3.964 4.120 -0.001 0.000 0.246 308 V C 2.325 178.420 176.094 0.001 0.000 1.047 308 V CA 1.935 64.275 62.300 0.066 0.000 1.015 308 V CB -0.683 31.180 31.823 0.065 0.000 0.642 308 V HN 0.378 nan 8.190 nan 0.000 0.446 309 F N -0.046 119.802 119.950 -0.169 0.000 2.120 309 F HA -0.273 4.253 4.527 -0.001 0.000 0.300 309 F C 2.263 177.933 175.800 -0.216 0.000 1.095 309 F CA 1.931 59.795 58.000 -0.228 0.000 1.249 309 F CB -0.339 38.455 39.000 -0.344 0.000 0.995 309 F HN 0.184 nan 8.300 nan 0.000 0.480 310 Y N 0.314 120.624 120.300 0.017 0.000 2.293 310 Y HA 0.016 4.565 4.550 -0.001 0.000 0.291 310 Y C 2.681 178.198 175.900 -0.638 0.000 1.137 310 Y CA 0.668 58.633 58.100 -0.225 0.000 1.202 310 Y CB -1.524 36.931 38.460 -0.007 0.000 0.990 310 Y HN 0.109 nan 8.280 nan 0.000 0.537 311 G N -0.076 108.320 108.800 -0.673 0.000 2.440 311 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.218 311 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.218 311 G C 1.742 176.393 174.900 -0.415 0.000 1.154 311 G CA 0.993 45.538 45.100 -0.924 0.000 0.767 311 G HN 0.377 nan 8.290 nan 0.000 0.552 312 L N -0.139 120.905 121.223 -0.299 0.000 2.093 312 L HA -0.066 4.273 4.340 -0.001 0.000 0.208 312 L C 3.163 179.832 176.870 -0.335 0.000 1.085 312 L CA 0.742 55.453 54.840 -0.215 0.000 0.755 312 L CB -0.318 41.626 42.059 -0.190 0.000 0.904 312 L HN 0.130 nan 8.230 nan 0.000 0.435 313 Q N -0.269 119.265 119.800 -0.444 0.000 2.124 313 Q HA -0.148 4.191 4.340 -0.001 0.000 0.202 313 Q C 2.451 178.243 176.000 -0.346 0.000 0.977 313 Q CA 1.623 57.165 55.803 -0.435 0.000 0.850 313 Q CB -0.442 28.075 28.738 -0.369 0.000 0.901 313 Q HN 0.432 nan 8.270 nan 0.000 0.429 314 S N 0.878 116.391 115.700 -0.311 0.000 2.368 314 S HA -0.073 4.396 4.470 -0.001 0.000 0.225 314 S C 2.061 176.564 174.600 -0.162 0.000 1.030 314 S CA 0.793 58.869 58.200 -0.208 0.000 0.999 314 S CB -0.209 62.922 63.200 -0.115 0.000 0.844 314 S HN 0.307 nan 8.310 nan 0.000 0.459 315 I N 1.271 121.750 120.570 -0.152 0.000 2.226 315 I HA -0.194 3.975 4.170 -0.001 0.000 0.245 315 I C 2.049 178.051 176.117 -0.193 0.000 1.100 315 I CA 1.123 62.367 61.300 -0.093 0.000 1.374 315 I CB -0.364 37.650 38.000 0.025 0.000 1.057 315 I HN 0.229 nan 8.210 nan 0.000 0.413 316 L N 0.405 121.422 121.223 -0.344 0.000 2.083 316 L HA -0.208 4.132 4.340 -0.001 0.000 0.209 316 L C 2.779 179.455 176.870 -0.323 0.000 1.083 316 L CA 1.639 56.197 54.840 -0.470 0.000 0.752 316 L CB -0.588 41.102 42.059 -0.615 0.000 0.899 316 L HN 0.378 nan 8.230 nan 0.000 0.433 317 S N -0.235 115.305 115.700 -0.266 0.000 2.419 317 S HA -0.123 4.347 4.470 -0.001 0.000 0.233 317 S C 1.835 176.348 174.600 -0.146 0.000 1.016 317 S CA 0.834 58.917 58.200 -0.194 0.000 0.974 317 S CB -0.476 62.634 63.200 -0.151 0.000 0.786 317 S HN 0.419 nan 8.310 nan 0.000 0.492 318 L N 1.363 122.503 121.223 -0.138 0.000 2.341 318 L HA 0.190 4.529 4.340 -0.001 0.000 0.214 318 L C 0.552 177.355 176.870 -0.111 0.000 1.115 318 L CA -0.124 54.652 54.840 -0.106 0.000 0.820 318 L CB -0.444 41.566 42.059 -0.082 0.000 0.944 318 L HN 0.141 nan 8.230 nan 0.000 0.452 319 V N 2.899 122.731 119.914 -0.137 0.000 2.583 319 V HA -0.034 4.086 4.120 -0.001 0.000 0.302 319 V C -1.704 174.324 176.094 -0.109 0.000 1.033 319 V CA -0.763 61.463 62.300 -0.124 0.000 1.194 319 V CB -0.430 31.298 31.823 -0.159 0.000 0.879 319 V HN 0.078 nan 8.190 nan 0.000 0.482 320 P HA 0.194 nan 4.420 nan 0.000 0.274 320 P C 0.396 177.651 177.300 -0.075 0.000 1.246 320 P CA -0.295 62.757 63.100 -0.079 0.000 0.795 320 P CB 0.817 32.478 31.700 -0.066 0.000 1.006 321 S N -0.174 115.484 115.700 -0.071 0.000 2.558 321 S HA -0.054 4.415 4.470 -0.001 0.000 0.217 321 S C 0.931 175.502 174.600 -0.050 0.000 0.975 321 S CA 0.450 58.612 58.200 -0.063 0.000 0.912 321 S CB -0.620 62.540 63.200 -0.066 0.000 0.776 321 S HN 0.629 nan 8.310 nan 0.000 0.526 322 D N 0.733 121.106 120.400 -0.046 0.000 2.349 322 D HA 0.167 4.806 4.640 -0.001 0.000 0.224 322 D C 1.344 177.623 176.300 -0.034 0.000 1.029 322 D CA 0.647 54.625 54.000 -0.037 0.000 0.879 322 D CB -0.729 40.051 40.800 -0.034 0.000 0.906 322 D HN 0.290 nan 8.370 nan 0.000 0.528 323 G N 0.525 109.302 108.800 -0.038 0.000 2.189 323 G HA2 -0.415 3.545 3.960 -0.001 0.000 0.267 323 G HA3 -0.415 3.545 3.960 -0.001 0.000 0.267 323 G C 1.294 176.176 174.900 -0.031 0.000 0.975 323 G CA 1.210 46.290 45.100 -0.033 0.000 0.644 323 G HN 0.715 nan 8.290 nan 0.000 0.537 324 S N -0.155 115.525 115.700 -0.034 0.000 2.400 324 S HA 0.201 4.670 4.470 -0.001 0.000 0.232 324 S C 2.695 177.272 174.600 -0.038 0.000 1.025 324 S CA 1.849 60.029 58.200 -0.033 0.000 0.993 324 S CB -0.616 62.563 63.200 -0.035 0.000 0.808 324 S HN 2.484 nan 8.310 nan 0.000 0.478 325 G N 0.915 109.688 108.800 -0.045 0.000 2.168 325 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.263 325 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.263 325 G C -0.129 174.727 174.900 -0.074 0.000 0.977 325 G CA 0.478 45.547 45.100 -0.052 0.000 0.659 325 G HN 0.612 nan 8.290 nan 0.000 0.533 326 K N 0.831 121.190 120.400 -0.068 0.000 2.227 326 K HA 0.675 4.994 4.320 -0.001 0.000 0.280 326 K C 0.700 177.253 176.600 -0.079 0.000 1.041 326 K CA -0.534 55.708 56.287 -0.075 0.000 0.905 326 K CB 1.519 33.987 32.500 -0.054 0.000 1.068 326 K HN 0.815 nan 8.250 nan 0.000 0.470 327 I N -1.928 118.585 120.570 -0.094 0.000 2.785 327 I HA 0.669 4.838 4.170 -0.001 0.000 0.302 327 I C -0.378 175.704 176.117 -0.057 0.000 1.069 327 I CA -1.417 59.835 61.300 -0.079 0.000 1.045 327 I CB 2.282 40.228 38.000 -0.090 0.000 1.236 327 I HN 0.450 nan 8.210 nan 0.000 0.429 328 A N 2.853 125.650 122.820 -0.038 0.000 2.388 328 A HA 0.530 4.849 4.320 -0.001 0.000 0.257 328 A C 0.535 178.126 177.584 0.012 0.000 1.095 328 A CA -0.073 51.954 52.037 -0.016 0.000 0.791 328 A CB 0.012 18.996 19.000 -0.027 0.000 1.029 328 A HN 0.855 nan 8.150 nan 0.000 0.489 329 T N 0.238 114.826 114.554 0.056 0.000 2.919 329 T HA 0.504 4.853 4.350 -0.001 0.000 0.302 329 T C -0.206 174.558 174.700 0.106 0.000 1.031 329 T CA 0.152 62.333 62.100 0.135 0.000 1.127 329 T CB 0.049 69.040 68.868 0.205 0.000 0.952 329 T HN 1.594 nan 8.240 nan 0.000 0.540 330 L N -1.297 120.005 121.223 0.131 0.000 2.940 330 L HA 0.844 5.184 4.340 -0.001 0.000 0.270 330 L C -2.047 174.890 176.870 0.111 0.000 1.030 330 L CA -1.094 53.702 54.840 -0.073 0.000 0.928 330 L CB 1.358 43.361 42.059 -0.093 0.000 1.506 330 L HN 0.536 nan 8.230 nan 0.000 0.405 331 D N 0.563 121.011 120.400 0.080 0.000 2.696 331 D HA 0.824 5.463 4.640 -0.001 0.000 0.251 331 D C -0.905 175.445 176.300 0.085 0.000 1.188 331 D CA -0.016 54.072 54.000 0.146 0.000 0.876 331 D CB 2.119 43.051 40.800 0.220 0.000 1.334 331 D HN 1.041 nan 8.370 nan 0.000 0.540 332 A N 1.594 124.475 122.820 0.102 0.000 2.475 332 A HA 0.798 5.117 4.320 -0.001 0.000 0.301 332 A C -0.990 176.625 177.584 0.052 0.000 1.059 332 A CA -0.754 51.329 52.037 0.077 0.000 0.710 332 A CB 2.057 21.119 19.000 0.102 0.000 1.288 332 A HN 0.334 nan 8.150 nan 0.000 0.408 333 S N 0.500 116.199 115.700 -0.002 0.000 2.502 333 S HA 0.678 5.147 4.470 -0.001 0.000 0.304 333 S C -1.667 172.857 174.600 -0.126 0.000 1.097 333 S CA -0.385 57.791 58.200 -0.040 0.000 1.045 333 S CB 1.136 64.344 63.200 0.014 0.000 1.019 333 S HN 0.776 nan 8.310 nan 0.000 0.481 334 D N 1.672 121.890 120.400 -0.303 0.000 2.837 334 D HA 0.752 5.392 4.640 -0.001 0.000 0.220 334 D C -1.315 174.916 176.300 -0.115 0.000 1.236 334 D CA -0.029 53.830 54.000 -0.236 0.000 0.838 334 D CB 2.040 42.541 40.800 -0.498 0.000 1.647 334 D HN 0.797 nan 8.370 nan 0.000 0.486 335 A N 2.627 125.444 122.820 -0.005 0.000 2.594 335 A HA 0.649 4.968 4.320 -0.001 0.000 0.296 335 A C -2.902 174.232 177.584 -0.750 0.000 1.061 335 A CA -1.181 50.711 52.037 -0.242 0.000 0.689 335 A CB 1.556 20.424 19.000 -0.219 0.000 1.280 335 A HN 0.344 nan 8.150 nan 0.000 0.406 336 P HA 0.129 nan 4.420 nan 0.000 0.268 336 P C 0.722 177.536 177.300 -0.809 0.000 1.204 336 P CA 0.010 62.330 63.100 -1.300 0.000 0.768 336 P CB 0.600 31.776 31.700 -0.875 0.000 0.842 337 R N 2.864 122.873 120.500 -0.818 0.000 2.119 337 R HA 0.083 4.422 4.340 -0.001 0.000 0.222 337 R C -0.214 175.699 176.300 -0.644 0.000 1.088 337 R CA 1.124 56.783 56.100 -0.734 0.000 0.984 337 R CB -0.149 29.599 30.300 -0.919 0.000 0.884 337 R HN 0.249 nan 8.270 nan 0.000 0.447 338 F N 0.235 119.981 119.950 -0.341 0.000 2.565 338 F HA 0.426 4.952 4.527 -0.001 0.000 0.313 338 F C -1.866 173.759 175.800 -0.291 0.000 1.091 338 F CA -3.413 54.405 58.000 -0.304 0.000 0.915 338 F CB 1.922 40.786 39.000 -0.227 0.000 1.208 338 F HN -0.277 nan 8.300 nan 0.000 0.453 339 P HA -0.109 nan 4.420 nan 0.000 0.225 339 P C -0.454 176.835 177.300 -0.019 0.000 1.156 339 P CA 1.209 64.231 63.100 -0.131 0.000 0.787 339 P CB 0.293 31.876 31.700 -0.196 0.000 0.802 340 Y N 1.627 121.806 120.300 -0.201 0.000 2.345 340 Y HA 0.458 5.007 4.550 -0.001 0.000 0.331 340 Y C -0.154 175.755 175.900 0.015 0.000 0.959 340 Y CA -1.251 56.811 58.100 -0.063 0.000 1.204 340 Y CB 0.890 39.311 38.460 -0.064 0.000 1.135 340 Y HN -0.279 nan 8.280 nan 0.000 0.477 341 R N 4.587 125.166 120.500 0.132 0.000 2.415 341 R HA 0.467 4.807 4.340 -0.001 0.000 0.292 341 R C -0.171 176.191 176.300 0.103 0.000 1.295 341 R CA -0.660 55.559 56.100 0.197 0.000 1.137 341 R CB 1.196 31.629 30.300 0.222 0.000 1.135 341 R HN 0.828 nan 8.270 nan 0.000 0.560 342 G N 2.512 111.405 108.800 0.156 0.000 2.389 342 G HA2 0.564 4.523 3.960 -0.001 0.000 0.317 342 G HA3 0.564 4.523 3.960 -0.001 0.000 0.317 342 G C -0.421 174.576 174.900 0.162 0.000 1.137 342 G CA -0.377 44.795 45.100 0.120 0.000 0.870 342 G HN 0.276 nan 8.290 nan 0.000 0.496 343 I N 1.390 122.049 120.570 0.149 0.000 2.447 343 I HA 0.310 4.479 4.170 -0.001 0.000 0.287 343 I C -1.160 175.037 176.117 0.133 0.000 1.023 343 I CA -0.952 60.426 61.300 0.130 0.000 1.083 343 I CB 1.562 39.629 38.000 0.111 0.000 1.245 343 I HN 0.452 nan 8.210 nan 0.000 0.434 344 F N 8.365 128.218 119.950 -0.161 0.000 2.421 344 F HA 0.709 5.236 4.527 -0.001 0.000 0.337 344 F C -1.236 174.326 175.800 -0.398 0.000 1.105 344 F CA -0.766 56.998 58.000 -0.392 0.000 1.049 344 F CB 1.388 40.015 39.000 -0.622 0.000 1.139 344 F HN 0.333 nan 8.300 nan 0.000 0.479 345 L N 6.288 126.956 121.223 -0.925 0.000 2.439 345 L HA 0.386 4.725 4.340 -0.001 0.000 0.270 345 L C -1.584 174.822 176.870 -0.773 0.000 0.972 345 L CA -0.450 54.021 54.840 -0.616 0.000 0.836 345 L CB 1.369 43.359 42.059 -0.116 0.000 1.255 345 L HN 0.653 nan 8.230 nan 0.000 0.404 346 D N 3.443 123.479 120.400 -0.608 0.000 2.325 346 D HA 0.269 4.908 4.640 -0.001 0.000 0.251 346 D C 0.661 177.013 176.300 0.087 0.000 1.196 346 D CA 0.051 53.888 54.000 -0.271 0.000 0.866 346 D CB 1.432 42.156 40.800 -0.126 0.000 1.101 346 D HN 0.404 nan 8.370 nan 0.000 0.476 347 V N 1.768 121.781 119.914 0.164 0.000 3.528 347 V HA 0.428 4.548 4.120 -0.001 0.000 0.294 347 V C 1.511 177.730 176.094 0.208 0.000 1.404 347 V CA 0.527 62.974 62.300 0.246 0.000 1.065 347 V CB 0.009 32.033 31.823 0.335 0.000 0.904 347 V HN 0.444 nan 8.190 nan 0.000 0.435 348 A N 1.256 124.189 122.820 0.188 0.000 1.878 348 A HA 0.104 4.424 4.320 -0.001 0.000 0.213 348 A C 2.286 180.009 177.584 0.231 0.000 1.192 348 A CA 1.226 53.373 52.037 0.185 0.000 0.619 348 A CB -0.379 18.723 19.000 0.170 0.000 0.837 348 A HN 0.408 nan 8.150 nan 0.000 0.446 349 R N 0.455 121.089 120.500 0.222 0.000 2.073 349 R HA 0.062 4.401 4.340 -0.001 0.000 0.234 349 R C -0.175 176.218 176.300 0.154 0.000 1.134 349 R CA 1.206 57.406 56.100 0.167 0.000 0.952 349 R CB -0.182 30.067 30.300 -0.086 0.000 0.850 349 R HN 0.499 nan 8.270 nan 0.000 0.433 350 N N -1.088 117.674 118.700 0.104 0.000 2.235 350 N HA 0.108 4.847 4.740 -0.001 0.000 0.293 350 N C -1.446 174.046 175.510 -0.030 0.000 1.083 350 N CA -0.613 52.520 53.050 0.139 0.000 0.801 350 N CB 1.729 40.224 38.487 0.014 0.000 1.559 350 N HN -0.107 nan 8.380 nan 0.000 0.472 351 F N 2.261 122.144 119.950 -0.112 0.000 2.410 351 F HA 0.250 4.776 4.527 -0.001 0.000 0.334 351 F C 0.132 175.602 175.800 -0.550 0.000 1.134 351 F CA 0.166 58.005 58.000 -0.268 0.000 1.227 351 F CB 0.484 39.332 39.000 -0.253 0.000 1.194 351 F HN 0.350 nan 8.300 nan 0.000 0.571 352 H N 4.226 122.870 119.070 -0.710 0.000 2.744 352 H HA 0.269 4.824 4.556 -0.001 0.000 0.339 352 H C -0.379 174.486 175.328 -0.772 0.000 1.004 352 H CA -0.910 54.859 56.048 -0.465 0.000 1.257 352 H CB 1.453 31.133 29.762 -0.136 0.000 1.552 352 H HN 0.520 nan 8.280 nan 0.000 0.522 353 K N 1.430 121.606 120.400 -0.373 0.000 2.336 353 K HA -0.032 4.288 4.320 -0.001 0.000 0.262 353 K C 1.426 178.070 176.600 0.074 0.000 0.992 353 K CA -0.189 55.992 56.287 -0.176 0.000 0.927 353 K CB 1.556 34.056 32.500 0.001 0.000 0.956 353 K HN 0.539 nan 8.250 nan 0.000 0.495 354 K N 1.748 122.301 120.400 0.255 0.000 2.113 354 K HA -0.229 4.090 4.320 -0.001 0.000 0.208 354 K C 1.384 177.975 176.600 -0.014 0.000 1.047 354 K CA 2.237 58.649 56.287 0.209 0.000 0.928 354 K CB -0.050 32.580 32.500 0.216 0.000 0.716 354 K HN 0.706 nan 8.250 nan 0.000 0.446 355 D N 0.102 120.493 120.400 -0.016 0.000 2.178 355 D HA -0.165 4.475 4.640 -0.001 0.000 0.202 355 D C 1.660 177.910 176.300 -0.083 0.000 0.974 355 D CA 1.283 55.239 54.000 -0.073 0.000 0.841 355 D CB -0.181 40.598 40.800 -0.036 0.000 0.953 355 D HN 0.300 nan 8.370 nan 0.000 0.478 356 A N 1.034 123.832 122.820 -0.037 0.000 1.929 356 A HA 0.019 4.338 4.320 -0.001 0.000 0.216 356 A C 2.618 180.150 177.584 -0.086 0.000 1.176 356 A CA 1.011 53.031 52.037 -0.030 0.000 0.628 356 A CB -0.676 18.335 19.000 0.020 0.000 0.816 356 A HN 0.161 nan 8.150 nan 0.000 0.444 357 V N 0.601 120.444 119.914 -0.118 0.000 2.332 357 V HA -0.280 3.840 4.120 -0.001 0.000 0.248 357 V C 2.565 178.424 176.094 -0.393 0.000 1.055 357 V CA 1.975 64.109 62.300 -0.278 0.000 1.038 357 V CB -0.854 30.785 31.823 -0.308 0.000 0.651 357 V HN 0.568 nan 8.190 nan 0.000 0.450 358 L N -0.586 120.397 121.223 -0.400 0.000 2.046 358 L HA -0.191 4.148 4.340 -0.001 0.000 0.208 358 L C 2.806 179.511 176.870 -0.274 0.000 1.077 358 L CA 1.760 56.250 54.840 -0.583 0.000 0.747 358 L CB -0.731 40.832 42.059 -0.828 0.000 0.896 358 L HN 0.266 nan 8.230 nan 0.000 0.432 359 R N -0.213 120.187 120.500 -0.167 0.000 2.096 359 R HA -0.183 4.156 4.340 -0.001 0.000 0.235 359 R C 2.223 178.506 176.300 -0.028 0.000 1.127 359 R CA 1.190 57.247 56.100 -0.070 0.000 0.968 359 R CB -0.501 29.766 30.300 -0.054 0.000 0.861 359 R HN 0.194 nan 8.270 nan 0.000 0.440 360 L N 1.319 122.521 121.223 -0.035 0.000 2.017 360 L HA -0.147 4.193 4.340 -0.001 0.000 0.208 360 L C 1.941 178.798 176.870 -0.023 0.000 1.073 360 L CA 1.679 56.552 54.840 0.055 0.000 0.745 360 L CB -0.515 41.502 42.059 -0.070 0.000 0.894 360 L HN 0.119 nan 8.230 nan 0.000 0.432 361 L N -0.414 120.697 121.223 -0.187 0.000 2.079 361 L HA -0.232 4.107 4.340 -0.001 0.000 0.210 361 L C 2.293 179.188 176.870 0.041 0.000 1.081 361 L CA 1.318 56.080 54.840 -0.130 0.000 0.752 361 L CB -0.971 41.008 42.059 -0.132 0.000 0.896 361 L HN 0.332 nan 8.230 nan 0.000 0.433 362 D N -0.385 120.073 120.400 0.096 0.000 2.123 362 D HA -0.183 4.456 4.640 -0.001 0.000 0.196 362 D C 2.333 178.653 176.300 0.034 0.000 0.992 362 D CA 1.102 55.149 54.000 0.078 0.000 0.833 362 D CB -0.142 40.693 40.800 0.060 0.000 0.954 362 D HN 0.342 nan 8.370 nan 0.000 0.455 363 Q N -0.256 119.585 119.800 0.069 0.000 2.187 363 Q HA 0.068 4.408 4.340 -0.001 0.000 0.199 363 Q C 2.315 178.469 176.000 0.257 0.000 0.957 363 Q CA 0.370 56.260 55.803 0.146 0.000 0.857 363 Q CB -0.178 28.684 28.738 0.206 0.000 0.929 363 Q HN 0.417 nan 8.270 nan 0.000 0.453 364 M N -0.030 119.695 119.600 0.208 0.000 2.117 364 M HA -0.137 4.343 4.480 -0.001 0.000 0.262 364 M C 2.190 178.592 176.300 0.170 0.000 1.065 364 M CA 1.587 57.006 55.300 0.198 0.000 1.114 364 M CB -0.311 32.355 32.600 0.109 0.000 1.361 364 M HN 0.170 nan 8.290 nan 0.000 0.408 365 A N 0.224 123.123 122.820 0.131 0.000 1.902 365 A HA -0.043 4.276 4.320 -0.001 0.000 0.217 365 A C 2.321 179.969 177.584 0.108 0.000 1.181 365 A CA 1.780 53.947 52.037 0.216 0.000 0.623 365 A CB -0.896 18.256 19.000 0.254 0.000 0.818 365 A HN 0.505 nan 8.150 nan 0.000 0.443 366 A N -1.647 121.100 122.820 -0.121 0.000 1.972 366 A HA -0.052 4.267 4.320 -0.001 0.000 0.219 366 A C 1.583 178.770 177.584 -0.660 0.000 1.169 366 A CA 1.460 53.208 52.037 -0.481 0.000 0.635 366 A CB -0.587 17.980 19.000 -0.723 0.000 0.810 366 A HN 0.620 nan 8.150 nan 0.000 0.446 367 Y N -1.211 119.088 120.300 -0.002 0.000 2.636 367 Y HA 0.283 4.833 4.550 -0.001 0.000 0.260 367 Y C 0.638 176.480 175.900 -0.097 0.000 1.177 367 Y CA -0.256 57.819 58.100 -0.041 0.000 1.209 367 Y CB 0.139 38.627 38.460 0.047 0.000 1.166 367 Y HN 0.326 nan 8.280 nan 0.000 0.531 368 K N -0.652 119.727 120.400 -0.035 0.000 3.446 368 K HA -0.222 4.097 4.320 -0.001 0.000 0.312 368 K C -0.466 176.155 176.600 0.034 0.000 1.329 368 K CA 0.416 56.565 56.287 -0.231 0.000 0.935 368 K CB -2.133 29.857 32.500 -0.850 0.000 1.281 368 K HN 0.324 nan 8.250 nan 0.000 0.457 369 L N 2.499 123.816 121.223 0.156 0.000 2.477 369 L HA 0.027 4.366 4.340 -0.001 0.000 0.272 369 L C 1.407 178.383 176.870 0.176 0.000 1.157 369 L CA -0.067 54.879 54.840 0.178 0.000 0.889 369 L CB 0.204 42.370 42.059 0.179 0.000 1.158 369 L HN 0.213 nan 8.230 nan 0.000 0.473 370 N N 1.615 120.411 118.700 0.160 0.000 2.204 370 N HA 0.053 4.792 4.740 -0.001 0.000 0.219 370 N C -0.457 175.061 175.510 0.012 0.000 1.151 370 N CA -0.206 52.926 53.050 0.137 0.000 0.867 370 N CB 0.544 39.157 38.487 0.211 0.000 1.043 370 N HN 0.310 nan 8.380 nan 0.000 0.516 371 K N 0.850 121.221 120.400 -0.048 0.000 2.507 371 K HA 0.256 4.575 4.320 -0.001 0.000 0.252 371 K C -1.735 174.874 176.600 0.015 0.000 0.943 371 K CA -0.538 55.655 56.287 -0.155 0.000 0.808 371 K CB 1.581 33.702 32.500 -0.632 0.000 1.142 371 K HN 0.040 nan 8.250 nan 0.000 0.426 372 F N 3.569 123.447 119.950 -0.119 0.000 2.308 372 F HA 0.206 4.733 4.527 -0.001 0.000 0.370 372 F C 0.051 175.830 175.800 -0.036 0.000 1.100 372 F CA -1.077 56.854 58.000 -0.116 0.000 1.108 372 F CB 0.311 39.186 39.000 -0.209 0.000 1.293 372 F HN 0.533 nan 8.300 nan 0.000 0.478 373 H N 6.697 125.517 119.070 -0.417 0.000 2.846 373 H HA 0.202 4.757 4.556 -0.001 0.000 0.278 373 H C -1.197 173.704 175.328 -0.711 0.000 1.117 373 H CA -0.508 55.310 56.048 -0.382 0.000 1.406 373 H CB 0.308 30.016 29.762 -0.090 0.000 1.445 373 H HN 0.435 nan 8.280 nan 0.000 0.469 374 F N 5.848 125.463 119.950 -0.558 0.000 2.313 374 F HA 0.107 4.633 4.527 -0.001 0.000 0.369 374 F C -0.363 175.166 175.800 -0.452 0.000 1.109 374 F CA -0.937 56.634 58.000 -0.715 0.000 1.132 374 F CB -0.117 38.563 39.000 -0.534 0.000 1.291 374 F HN 0.679 nan 8.300 nan 0.000 0.496 375 H N 6.083 124.862 119.070 -0.484 0.000 3.118 375 H HA 0.278 4.833 4.556 -0.001 0.000 0.266 375 H C 0.627 175.749 175.328 -0.342 0.000 1.465 375 H CA 0.263 56.027 56.048 -0.474 0.000 1.460 375 H CB 0.231 29.505 29.762 -0.814 0.000 1.661 375 H HN 0.693 nan 8.280 nan 0.000 0.516 376 L N 2.355 123.246 121.223 -0.554 0.000 2.554 376 L HA 0.085 4.424 4.340 -0.001 0.000 0.226 376 L C 0.447 176.947 176.870 -0.618 0.000 1.137 376 L CA 0.282 54.769 54.840 -0.588 0.000 0.863 376 L CB -0.082 41.533 42.059 -0.739 0.000 0.985 376 L HN 0.521 nan 8.230 nan 0.000 0.451 377 S N -2.750 112.578 115.700 -0.620 0.000 2.579 377 S HA 0.654 5.123 4.470 -0.001 0.000 0.272 377 S C -1.059 173.425 174.600 -0.194 0.000 1.141 377 S CA -0.930 57.022 58.200 -0.412 0.000 0.843 377 S CB 3.264 66.109 63.200 -0.593 0.000 1.122 377 S HN 0.032 nan 8.310 nan 0.000 0.468 378 D N -0.895 119.542 120.400 0.062 0.000 3.182 378 D HA 0.215 4.855 4.640 -0.001 0.000 0.352 378 D C -0.531 175.858 176.300 0.149 0.000 1.421 378 D CA -0.356 53.771 54.000 0.210 0.000 0.912 378 D CB 1.014 42.043 40.800 0.381 0.000 1.461 378 D HN 0.487 nan 8.370 nan 0.000 0.548 379 D N -0.048 120.405 120.400 0.089 0.000 2.178 379 D HA -0.089 4.550 4.640 -0.001 0.000 0.202 379 D C 0.538 176.775 176.300 -0.104 0.000 0.974 379 D CA 1.196 55.073 54.000 -0.206 0.000 0.841 379 D CB 0.354 40.709 40.800 -0.741 0.000 0.953 379 D HN 0.287 nan 8.370 nan 0.000 0.478 380 E N -0.164 120.110 120.200 0.123 0.000 2.465 380 E HA 0.405 4.754 4.350 -0.001 0.000 0.195 380 E C 0.455 177.178 176.600 0.206 0.000 1.028 380 E CA -0.283 56.234 56.400 0.195 0.000 0.899 380 E CB 1.341 31.288 29.700 0.411 0.000 1.032 380 E HN 0.125 nan 8.360 nan 0.000 0.468 381 G N 0.095 109.002 108.800 0.178 0.000 2.556 381 G HA2 0.291 4.251 3.960 -0.001 0.000 0.294 381 G HA3 0.291 4.251 3.960 -0.001 0.000 0.294 381 G C -2.293 172.720 174.900 0.188 0.000 1.516 381 G CA -0.908 44.293 45.100 0.169 0.000 0.824 381 G HN 0.044 nan 8.290 nan 0.000 0.535 382 W N 2.844 124.133 121.300 -0.019 0.000 2.715 382 W HA 0.552 5.211 4.660 -0.001 0.000 0.331 382 W C -0.669 175.810 176.519 -0.067 0.000 1.031 382 W CA -0.998 56.323 57.345 -0.041 0.000 1.237 382 W CB 1.810 31.240 29.460 -0.050 0.000 1.378 382 W HN 0.464 nan 8.180 nan 0.000 0.454 383 R N 5.124 125.479 120.500 -0.241 0.000 2.577 383 R HA 0.180 4.520 4.340 -0.001 0.000 0.344 383 R C -0.524 175.778 176.300 0.004 0.000 1.037 383 R CA -0.455 55.606 56.100 -0.065 0.000 1.102 383 R CB 0.556 30.849 30.300 -0.012 0.000 1.313 383 R HN 0.355 nan 8.270 nan 0.000 0.561 384 I N 0.506 121.017 120.570 -0.098 0.000 2.466 384 I HA 0.210 4.380 4.170 -0.001 0.000 0.289 384 I C -0.193 176.053 176.117 0.215 0.000 1.026 384 I CA -1.255 60.056 61.300 0.018 0.000 1.078 384 I CB 1.894 39.710 38.000 -0.307 0.000 1.249 384 I HN 0.004 nan 8.210 nan 0.000 0.429 385 E N 7.533 127.862 120.200 0.215 0.000 2.376 385 E HA 0.198 4.547 4.350 -0.001 0.000 0.266 385 E C -1.216 175.434 176.600 0.083 0.000 1.009 385 E CA -0.147 56.324 56.400 0.118 0.000 0.902 385 E CB 0.610 30.441 29.700 0.218 0.000 0.972 385 E HN 0.476 nan 8.360 nan 0.000 0.439 386 I N 7.165 127.746 120.570 0.018 0.000 2.420 386 I HA 0.251 4.421 4.170 -0.001 0.000 0.282 386 I C -2.295 173.778 176.117 -0.072 0.000 1.019 386 I CA -2.822 58.465 61.300 -0.022 0.000 1.130 386 I CB 0.978 38.938 38.000 -0.067 0.000 1.262 386 I HN 0.394 nan 8.210 nan 0.000 0.454 387 P HA 0.161 nan 4.420 nan 0.000 0.261 387 P C 0.999 178.252 177.300 -0.079 0.000 1.183 387 P CA 0.894 63.973 63.100 -0.036 0.000 0.761 387 P CB 0.604 32.302 31.700 -0.003 0.000 0.785 388 G N 2.772 111.526 108.800 -0.076 0.000 2.258 388 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.233 388 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.233 388 G C 0.067 174.868 174.900 -0.164 0.000 1.006 388 G CA -0.247 44.797 45.100 -0.094 0.000 0.620 388 G HN 0.503 nan 8.290 nan 0.000 0.511 389 L N 1.831 122.927 121.223 -0.212 0.000 2.594 389 L HA 0.295 4.635 4.340 -0.001 0.000 0.245 389 L C -1.153 175.586 176.870 -0.219 0.000 1.460 389 L CA -1.450 53.238 54.840 -0.254 0.000 0.865 389 L CB 1.556 43.382 42.059 -0.390 0.000 1.131 389 L HN -0.020 nan 8.230 nan 0.000 0.506 390 P HA -0.169 nan 4.420 nan 0.000 0.218 390 P C 0.859 178.037 177.300 -0.203 0.000 1.148 390 P CA 1.279 64.282 63.100 -0.163 0.000 0.822 390 P CB 0.535 32.173 31.700 -0.103 0.000 0.784 391 E N -0.161 119.930 120.200 -0.180 0.000 2.268 391 E HA -0.077 4.272 4.350 -0.001 0.000 0.195 391 E C 2.138 178.583 176.600 -0.259 0.000 0.995 391 E CA 0.584 56.876 56.400 -0.179 0.000 0.836 391 E CB -0.999 28.627 29.700 -0.123 0.000 0.763 391 E HN 0.257 nan 8.360 nan 0.000 0.491 392 L N 0.391 121.389 121.223 -0.375 0.000 2.079 392 L HA -0.193 4.146 4.340 -0.001 0.000 0.210 392 L C 2.324 178.950 176.870 -0.407 0.000 1.081 392 L CA 1.796 56.276 54.840 -0.601 0.000 0.752 392 L CB -0.667 40.714 42.059 -1.131 0.000 0.896 392 L HN 0.351 nan 8.230 nan 0.000 0.433 393 T N -5.090 109.218 114.554 -0.411 0.000 3.034 393 T HA 0.024 4.373 4.350 -0.001 0.000 0.248 393 T C 1.588 175.990 174.700 -0.496 0.000 1.040 393 T CA 0.040 61.787 62.100 -0.589 0.000 1.107 393 T CB -0.032 68.048 68.868 -1.313 0.000 0.932 393 T HN 0.231 nan 8.240 nan 0.000 0.474 394 E N 0.893 120.883 120.200 -0.350 0.000 2.110 394 E HA -0.050 4.299 4.350 -0.001 0.000 0.193 394 E C 2.032 178.553 176.600 -0.131 0.000 0.988 394 E CA 1.171 57.453 56.400 -0.198 0.000 0.804 394 E CB -0.046 29.570 29.700 -0.140 0.000 0.745 394 E HN 0.351 nan 8.360 nan 0.000 0.458 395 V N -0.477 119.356 119.914 -0.135 0.000 2.627 395 V HA 0.048 4.167 4.120 -0.001 0.000 0.239 395 V C 2.179 178.229 176.094 -0.073 0.000 1.077 395 V CA 1.293 63.540 62.300 -0.089 0.000 1.103 395 V CB -0.246 31.528 31.823 -0.083 0.000 0.802 395 V HN 0.327 nan 8.190 nan 0.000 0.482 396 G N 0.274 109.018 108.800 -0.094 0.000 2.509 396 G HA2 -0.078 3.881 3.960 -0.001 0.000 0.218 396 G HA3 -0.078 3.881 3.960 -0.001 0.000 0.218 396 G C 1.334 176.253 174.900 0.033 0.000 1.124 396 G CA 0.904 45.997 45.100 -0.012 0.000 0.776 396 G HN 0.605 nan 8.290 nan 0.000 0.547 397 G N -0.635 108.137 108.800 -0.046 0.000 3.141 397 G HA2 0.407 4.366 3.960 -0.001 0.000 0.218 397 G HA3 0.407 4.366 3.960 -0.001 0.000 0.218 397 G C 0.421 175.286 174.900 -0.057 0.000 1.170 397 G CA 0.065 45.143 45.100 -0.036 0.000 0.769 397 G HN 0.627 nan 8.290 nan 0.000 0.546 398 Q N -0.775 119.006 119.800 -0.032 0.000 2.418 398 Q HA 0.635 4.975 4.340 -0.001 0.000 0.282 398 Q C -1.430 174.591 176.000 0.036 0.000 1.044 398 Q CA -1.105 54.681 55.803 -0.029 0.000 0.813 398 Q CB 1.747 30.463 28.738 -0.037 0.000 1.428 398 Q HN 0.031 nan 8.270 nan 0.000 0.402 399 R N 0.551 121.107 120.500 0.094 0.000 2.534 399 R HA 0.808 5.147 4.340 -0.001 0.000 0.301 399 R C -0.816 175.552 176.300 0.115 0.000 0.961 399 R CA -0.504 55.675 56.100 0.131 0.000 0.871 399 R CB 1.925 32.358 30.300 0.222 0.000 1.170 399 R HN 0.983 nan 8.270 nan 0.000 0.446 400 c N -0.374 118.265 118.600 0.066 0.000 3.311 400 c HA 0.363 4.933 4.570 -0.001 0.000 0.325 400 c C -0.376 173.726 174.090 0.020 0.000 1.352 400 c CA -1.150 55.203 56.329 0.039 0.000 1.308 400 c CB 1.153 43.675 42.510 0.021 0.000 1.619 400 c HN 1.020 nan 8.230 nan 0.000 0.469 401 H N 1.505 120.517 119.070 -0.096 0.000 3.216 401 H HA 0.444 4.999 4.556 -0.001 0.000 0.263 401 H C -0.444 174.840 175.328 -0.074 0.000 1.601 401 H CA 1.055 57.036 56.048 -0.111 0.000 1.509 401 H CB -0.203 29.450 29.762 -0.182 0.000 1.759 401 H HN 0.734 nan 8.280 nan 0.000 0.533 402 D N 4.542 124.779 120.400 -0.272 0.000 2.404 402 D HA 0.031 4.671 4.640 -0.001 0.000 0.267 402 D C 0.749 176.899 176.300 -0.251 0.000 1.194 402 D CA -0.514 53.359 54.000 -0.211 0.000 0.910 402 D CB 0.218 40.961 40.800 -0.096 0.000 1.090 402 D HN 0.538 nan 8.370 nan 0.000 0.511 403 L N 1.851 122.874 121.223 -0.334 0.000 2.661 403 L HA -0.142 4.197 4.340 -0.001 0.000 0.236 403 L C 1.660 178.458 176.870 -0.121 0.000 1.176 403 L CA 1.264 55.965 54.840 -0.231 0.000 0.836 403 L CB -0.564 41.390 42.059 -0.174 0.000 0.960 403 L HN 0.362 nan 8.230 nan 0.000 0.455 404 S N -2.441 113.199 115.700 -0.100 0.000 2.559 404 S HA 0.050 4.519 4.470 -0.001 0.000 0.226 404 S C 0.670 175.241 174.600 -0.049 0.000 1.000 404 S CA -0.441 57.724 58.200 -0.059 0.000 0.948 404 S CB 0.191 63.368 63.200 -0.040 0.000 0.870 404 S HN 0.446 nan 8.310 nan 0.000 0.497 405 E N 0.733 120.897 120.200 -0.060 0.000 2.294 405 E HA -0.213 4.137 4.350 -0.001 0.000 0.228 405 E C 0.465 177.044 176.600 -0.035 0.000 1.253 405 E CA 0.837 57.210 56.400 -0.046 0.000 0.716 405 E CB -2.033 27.643 29.700 -0.039 0.000 1.184 405 E HN 0.574 nan 8.360 nan 0.000 0.374 406 T N -1.902 112.632 114.554 -0.033 0.000 3.031 406 T HA -0.015 4.334 4.350 -0.001 0.000 0.254 406 T C 1.591 176.274 174.700 -0.029 0.000 1.060 406 T CA 1.474 63.559 62.100 -0.025 0.000 1.135 406 T CB 0.267 69.124 68.868 -0.019 0.000 0.896 406 T HN 0.273 nan 8.240 nan 0.000 0.472 407 T N -0.412 114.124 114.554 -0.031 0.000 2.975 407 T HA 0.358 4.707 4.350 -0.001 0.000 0.257 407 T C 0.026 174.708 174.700 -0.030 0.000 1.003 407 T CA -0.115 61.967 62.100 -0.030 0.000 0.932 407 T CB -0.041 68.813 68.868 -0.023 0.000 1.087 407 T HN 0.420 nan 8.240 nan 0.000 0.512 408 c N 0.519 119.103 118.600 -0.028 0.000 3.318 408 c HA 0.613 5.182 4.570 -0.001 0.000 0.322 408 c C -0.534 173.548 174.090 -0.014 0.000 1.398 408 c CA -1.578 54.742 56.329 -0.016 0.000 1.339 408 c CB 1.117 43.625 42.510 -0.004 0.000 1.668 408 c HN 0.374 nan 8.230 nan 0.000 0.462 409 L N 1.368 122.596 121.223 0.009 0.000 2.421 409 L HA 0.463 4.802 4.340 -0.001 0.000 0.263 409 L C -0.071 176.820 176.870 0.035 0.000 1.122 409 L CA -0.442 54.410 54.840 0.020 0.000 0.804 409 L CB 0.231 42.317 42.059 0.045 0.000 1.150 409 L HN 0.500 nan 8.230 nan 0.000 0.457 410 L N 1.932 123.178 121.223 0.037 0.000 2.483 410 L HA 0.118 4.458 4.340 -0.001 0.000 0.276 410 L C -2.010 174.932 176.870 0.119 0.000 1.213 410 L CA -1.523 53.341 54.840 0.040 0.000 0.843 410 L CB -0.026 42.046 42.059 0.021 0.000 1.107 410 L HN 0.307 nan 8.230 nan 0.000 0.487 411 P HA 0.021 nan 4.420 nan 0.000 0.266 411 P C -1.051 176.452 177.300 0.339 0.000 1.195 411 P CA 0.137 63.392 63.100 0.258 0.000 0.768 411 P CB 0.574 32.495 31.700 0.369 0.000 0.838 412 Q N 1.589 121.487 119.800 0.163 0.000 2.462 412 Q HA 0.255 4.594 4.340 -0.001 0.000 0.285 412 Q C -0.572 175.219 176.000 -0.348 0.000 1.035 412 Q CA -0.635 55.111 55.803 -0.094 0.000 0.799 412 Q CB 1.474 30.123 28.738 -0.147 0.000 1.452 412 Q HN 0.427 nan 8.270 nan 0.000 0.404 413 Y N -0.419 119.698 120.300 -0.304 0.000 4.272 413 Y HA -0.216 4.334 4.550 -0.001 0.000 0.232 413 Y C 0.961 176.679 175.900 -0.303 0.000 1.149 413 Y CA 1.381 59.363 58.100 -0.197 0.000 1.961 413 Y CB -2.120 36.316 38.460 -0.040 0.000 1.611 413 Y HN 1.029 nan 8.280 nan 0.000 0.682 414 G N 0.120 108.576 108.800 -0.575 0.000 2.273 414 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.280 414 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.280 414 G C 0.589 175.456 174.900 -0.054 0.000 1.047 414 G CA 0.444 45.478 45.100 -0.110 0.000 0.869 414 G HN 0.496 nan 8.290 nan 0.000 0.502 415 Q N -0.487 119.211 119.800 -0.171 0.000 2.220 415 Q HA 0.409 4.749 4.340 -0.001 0.000 0.205 415 Q C 1.391 177.359 176.000 -0.054 0.000 0.865 415 Q CA 0.709 56.382 55.803 -0.217 0.000 0.960 415 Q CB 0.815 29.134 28.738 -0.698 0.000 1.097 415 Q HN 1.868 nan 8.270 nan 0.000 0.493 416 G N 2.221 111.054 108.800 0.054 0.000 2.712 416 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.683 416 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.683 416 G C -2.410 172.433 174.900 -0.095 0.000 1.320 416 G CA -0.360 44.762 45.100 0.036 0.000 0.847 416 G HN 0.029 nan 8.290 nan 0.000 0.553 417 P HA 0.177 nan 4.420 nan 0.000 0.238 417 P C 0.258 177.422 177.300 -0.227 0.000 1.183 417 P CA 0.574 63.292 63.100 -0.637 0.000 0.813 417 P CB 0.220 31.081 31.700 -1.399 0.000 0.944 418 D N 0.129 120.452 120.400 -0.128 0.000 2.384 418 D HA 0.071 4.710 4.640 -0.001 0.000 0.244 418 D C 0.269 176.587 176.300 0.030 0.000 1.251 418 D CA -0.415 53.564 54.000 -0.035 0.000 0.961 418 D CB 0.429 41.222 40.800 -0.011 0.000 1.116 418 D HN -0.244 nan 8.370 nan 0.000 0.484 419 V N 1.323 121.257 119.914 0.034 0.000 2.557 419 V HA -0.059 4.061 4.120 -0.001 0.000 0.301 419 V C -0.373 175.782 176.094 0.102 0.000 1.026 419 V CA 0.719 63.049 62.300 0.050 0.000 1.137 419 V CB -0.681 31.151 31.823 0.014 0.000 0.917 419 V HN 0.404 nan 8.190 nan 0.000 0.484 420 Y N 4.530 124.835 120.300 0.007 0.000 2.386 420 Y HA 0.768 5.318 4.550 -0.001 0.000 0.334 420 Y C 0.100 176.006 175.900 0.011 0.000 1.002 420 Y CA 0.241 58.352 58.100 0.018 0.000 1.068 420 Y CB 1.823 40.306 38.460 0.039 0.000 1.203 420 Y HN 0.841 nan 8.280 nan 0.000 0.443 421 G N 2.077 110.200 108.800 -1.129 0.000 2.455 421 G HA2 0.533 4.492 3.960 -0.001 0.000 0.223 421 G HA3 0.533 4.492 3.960 -0.001 0.000 0.223 421 G C -0.576 173.877 174.900 -0.745 0.000 1.226 421 G CA -0.016 44.549 45.100 -0.892 0.000 0.948 421 G HN 1.770 nan 8.290 nan 0.000 0.478 422 G N -1.772 106.586 108.800 -0.737 0.000 2.353 422 G HA2 0.698 4.657 3.960 -0.001 0.000 0.308 422 G HA3 0.698 4.657 3.960 -0.001 0.000 0.308 422 G C -1.067 173.047 174.900 -1.309 0.000 1.418 422 G CA 0.399 44.799 45.100 -1.166 0.000 0.966 422 G HN 2.303 nan 8.290 nan 0.000 0.638 423 F N -2.202 116.969 119.950 -1.299 0.000 2.744 423 F HA 0.761 5.287 4.527 -0.001 0.000 0.311 423 F C -1.666 173.857 175.800 -0.462 0.000 1.144 423 F CA -2.131 55.382 58.000 -0.811 0.000 0.938 423 F CB 0.669 39.457 39.000 -0.354 0.000 1.292 423 F HN 0.469 nan 8.300 nan 0.000 0.444 424 F N 2.257 122.340 119.950 0.222 0.000 2.420 424 F HA 0.520 5.046 4.527 -0.001 0.000 0.352 424 F C 1.022 176.969 175.800 0.244 0.000 1.108 424 F CA -0.438 57.682 58.000 0.200 0.000 1.162 424 F CB 1.105 40.271 39.000 0.276 0.000 1.118 424 F HN 0.735 nan 8.300 nan 0.000 0.510 425 S N 3.377 119.250 115.700 0.289 0.000 2.596 425 S HA 0.146 4.615 4.470 -0.001 0.000 0.260 425 S C 1.555 176.331 174.600 0.293 0.000 1.336 425 S CA -0.598 57.775 58.200 0.289 0.000 0.993 425 S CB 0.724 64.022 63.200 0.162 0.000 0.923 425 S HN 0.804 nan 8.310 nan 0.000 0.567 426 R N 0.109 120.747 120.500 0.230 0.000 2.091 426 R HA -0.173 4.167 4.340 -0.001 0.000 0.238 426 R C 2.433 178.854 176.300 0.203 0.000 1.136 426 R CA 1.909 58.131 56.100 0.204 0.000 0.959 426 R CB -0.468 29.920 30.300 0.146 0.000 0.856 426 R HN 0.806 nan 8.270 nan 0.000 0.437 427 Q N 0.656 120.552 119.800 0.161 0.000 2.083 427 Q HA -0.131 4.208 4.340 -0.001 0.000 0.198 427 Q C 1.289 177.369 176.000 0.132 0.000 0.969 427 Q CA 1.972 57.849 55.803 0.124 0.000 0.838 427 Q CB -0.121 28.672 28.738 0.092 0.000 0.900 427 Q HN 0.302 nan 8.270 nan 0.000 0.436 428 D N -0.900 119.606 120.400 0.177 0.000 2.123 428 D HA -0.186 4.453 4.640 -0.001 0.000 0.196 428 D C 1.519 177.919 176.300 0.165 0.000 0.992 428 D CA 1.182 55.297 54.000 0.193 0.000 0.833 428 D CB -0.320 40.685 40.800 0.342 0.000 0.954 428 D HN 0.350 nan 8.370 nan 0.000 0.455 429 Y N 1.058 121.412 120.300 0.090 0.000 2.184 429 Y HA -0.064 4.486 4.550 -0.001 0.000 0.290 429 Y C 2.247 178.137 175.900 -0.017 0.000 1.129 429 Y CA 0.975 59.088 58.100 0.023 0.000 1.144 429 Y CB -0.329 38.168 38.460 0.062 0.000 0.995 429 Y HN -0.104 nan 8.280 nan 0.000 0.513 430 I N 0.042 120.644 120.570 0.054 0.000 2.208 430 I HA -0.344 3.825 4.170 -0.001 0.000 0.245 430 I C 1.910 177.972 176.117 -0.092 0.000 1.097 430 I CA 1.623 62.889 61.300 -0.058 0.000 1.363 430 I CB -0.428 37.592 38.000 0.034 0.000 1.051 430 I HN 0.216 nan 8.210 nan 0.000 0.413 431 D N 0.986 121.364 120.400 -0.037 0.000 2.104 431 D HA -0.167 4.472 4.640 -0.001 0.000 0.194 431 D C 2.233 178.491 176.300 -0.070 0.000 0.994 431 D CA 1.426 55.409 54.000 -0.029 0.000 0.830 431 D CB -0.241 40.558 40.800 -0.002 0.000 0.959 431 D HN 0.338 nan 8.370 nan 0.000 0.452 432 I N 0.647 121.124 120.570 -0.155 0.000 2.226 432 I HA -0.235 3.934 4.170 -0.001 0.000 0.245 432 I C 2.339 178.332 176.117 -0.206 0.000 1.100 432 I CA 0.718 61.887 61.300 -0.219 0.000 1.374 432 I CB -0.129 37.696 38.000 -0.291 0.000 1.057 432 I HN -0.023 nan 8.210 nan 0.000 0.413 433 I N 0.597 120.980 120.570 -0.313 0.000 2.226 433 I HA -0.293 3.876 4.170 -0.001 0.000 0.245 433 I C 2.445 178.476 176.117 -0.145 0.000 1.100 433 I CA 1.469 62.597 61.300 -0.285 0.000 1.374 433 I CB -0.420 37.312 38.000 -0.446 0.000 1.057 433 I HN 0.140 nan 8.210 nan 0.000 0.413 434 K N -0.031 120.306 120.400 -0.105 0.000 2.063 434 K HA -0.240 4.079 4.320 -0.001 0.000 0.208 434 K C 2.201 178.773 176.600 -0.046 0.000 1.048 434 K CA 1.713 57.964 56.287 -0.060 0.000 0.928 434 K CB -0.351 32.130 32.500 -0.032 0.000 0.713 434 K HN 0.248 nan 8.250 nan 0.000 0.442 435 Y N 1.015 121.228 120.300 -0.144 0.000 2.242 435 Y HA -0.194 4.356 4.550 -0.001 0.000 0.291 435 Y C 2.200 178.001 175.900 -0.165 0.000 1.137 435 Y CA 1.298 59.312 58.100 -0.143 0.000 1.181 435 Y CB -0.121 38.247 38.460 -0.154 0.000 0.989 435 Y HN 0.048 nan 8.280 nan 0.000 0.527 436 A N -0.402 122.415 122.820 -0.006 0.000 1.930 436 A HA -0.208 4.111 4.320 -0.001 0.000 0.217 436 A C 2.073 179.574 177.584 -0.138 0.000 1.175 436 A CA 1.673 53.661 52.037 -0.081 0.000 0.627 436 A CB -0.707 18.242 19.000 -0.085 0.000 0.815 436 A HN 0.546 nan 8.150 nan 0.000 0.443 437 Q N 0.038 119.759 119.800 -0.133 0.000 2.123 437 Q HA 0.080 4.419 4.340 -0.001 0.000 0.199 437 Q C 1.876 177.741 176.000 -0.225 0.000 0.966 437 Q CA 1.899 57.612 55.803 -0.148 0.000 0.845 437 Q CB -0.577 28.099 28.738 -0.103 0.000 0.907 437 Q HN 0.496 nan 8.270 nan 0.000 0.439 438 A N 0.453 123.128 122.820 -0.241 0.000 2.070 438 A HA -0.099 4.221 4.320 -0.001 0.000 0.220 438 A C 1.661 178.979 177.584 -0.443 0.000 1.159 438 A CA 1.266 53.130 52.037 -0.287 0.000 0.656 438 A CB -0.283 18.552 19.000 -0.275 0.000 0.800 438 A HN 0.376 nan 8.150 nan 0.000 0.453 439 R N -0.842 119.393 120.500 -0.442 0.000 2.466 439 R HA 0.103 4.443 4.340 -0.001 0.000 0.279 439 R C -0.236 175.690 176.300 -0.623 0.000 0.976 439 R CA 0.042 55.802 56.100 -0.567 0.000 1.081 439 R CB 0.322 30.488 30.300 -0.223 0.000 1.215 439 R HN 0.426 nan 8.270 nan 0.000 0.546 440 Q N -0.752 118.713 119.800 -0.558 0.000 2.481 440 Q HA -0.209 4.131 4.340 -0.001 0.000 0.258 440 Q C -0.402 175.522 176.000 -0.127 0.000 0.961 440 Q CA 1.149 56.728 55.803 -0.375 0.000 1.121 440 Q CB -2.328 26.084 28.738 -0.545 0.000 1.503 440 Q HN 0.462 nan 8.270 nan 0.000 0.544 441 I N 1.023 121.528 120.570 -0.109 0.000 2.377 441 I HA 0.245 4.415 4.170 -0.001 0.000 0.293 441 I C 0.740 176.845 176.117 -0.020 0.000 0.987 441 I CA -0.483 60.800 61.300 -0.028 0.000 1.185 441 I CB 1.699 39.681 38.000 -0.029 0.000 1.341 441 I HN 0.015 nan 8.210 nan 0.000 0.455 442 E N 6.000 126.202 120.200 0.003 0.000 2.227 442 E HA 0.354 4.703 4.350 -0.001 0.000 0.282 442 E C -1.319 175.317 176.600 0.060 0.000 1.015 442 E CA -0.625 55.789 56.400 0.024 0.000 0.823 442 E CB 1.500 31.207 29.700 0.010 0.000 1.081 442 E HN 0.342 nan 8.360 nan 0.000 0.396 443 V N 6.741 126.722 119.914 0.112 0.000 2.406 443 V HA 0.232 4.351 4.120 -0.001 0.000 0.272 443 V C 0.246 176.439 176.094 0.165 0.000 1.043 443 V CA -0.291 62.111 62.300 0.168 0.000 0.915 443 V CB 0.859 32.792 31.823 0.184 0.000 0.988 443 V HN 0.638 nan 8.190 nan 0.000 0.466 444 I N 8.340 128.936 120.570 0.043 0.000 2.371 444 I HA 0.319 4.488 4.170 -0.001 0.000 0.282 444 I C -2.208 173.853 176.117 -0.094 0.000 1.031 444 I CA -1.931 59.341 61.300 -0.046 0.000 1.180 444 I CB 1.980 39.904 38.000 -0.125 0.000 1.336 444 I HN 0.432 nan 8.210 nan 0.000 0.467 445 P HA 0.100 nan 4.420 nan 0.000 0.276 445 P C -0.807 176.171 177.300 -0.538 0.000 1.235 445 P CA -0.082 62.870 63.100 -0.246 0.000 0.772 445 P CB 1.089 32.632 31.700 -0.262 0.000 0.871 446 E N 3.626 123.569 120.200 -0.428 0.000 2.176 446 E HA 0.399 4.748 4.350 -0.001 0.000 0.267 446 E C -1.073 175.272 176.600 -0.426 0.000 0.893 446 E CA -0.728 55.432 56.400 -0.399 0.000 0.761 446 E CB 0.809 30.385 29.700 -0.207 0.000 1.133 446 E HN 0.244 nan 8.360 nan 0.000 0.409 447 I N 4.339 124.732 120.570 -0.296 0.000 2.437 447 I HA 0.228 4.397 4.170 -0.001 0.000 0.279 447 I C -0.592 175.625 176.117 0.166 0.000 1.028 447 I CA -0.812 60.416 61.300 -0.121 0.000 1.142 447 I CB 0.820 38.886 38.000 0.109 0.000 1.266 447 I HN 0.583 nan 8.210 nan 0.000 0.461 448 D N 8.377 128.846 120.400 0.114 0.000 2.414 448 D HA 0.571 5.211 4.640 -0.001 0.000 0.242 448 D C 0.271 176.816 176.300 0.408 0.000 1.129 448 D CA 0.698 54.875 54.000 0.296 0.000 0.885 448 D CB 0.716 41.676 40.800 0.267 0.000 1.198 448 D HN 0.495 nan 8.370 nan 0.000 0.437 449 M N -0.069 119.834 119.600 0.506 0.000 2.724 449 M HA 0.238 4.718 4.480 -0.001 0.000 0.280 449 M C -2.736 173.951 176.300 0.644 0.000 1.090 449 M CA -1.267 54.343 55.300 0.517 0.000 0.838 449 M CB 2.169 35.114 32.600 0.574 0.000 1.729 449 M HN -0.055 nan 8.290 nan 0.000 0.530 450 P HA 0.140 nan 4.420 nan 0.000 0.227 450 P C 0.543 178.057 177.300 0.356 0.000 1.161 450 P CA 1.176 64.462 63.100 0.310 0.000 0.788 450 P CB 0.044 31.883 31.700 0.232 0.000 0.822 451 A N -0.301 122.729 122.820 0.349 0.000 2.249 451 A HA 0.266 4.585 4.320 -0.001 0.000 0.281 451 A C 0.459 178.135 177.584 0.154 0.000 1.127 451 A CA -0.273 51.820 52.037 0.094 0.000 0.833 451 A CB -0.837 18.212 19.000 0.083 0.000 1.140 451 A HN 0.304 nan 8.150 nan 0.000 0.502 452 H N -2.049 116.952 119.070 -0.114 0.000 2.713 452 H HA -0.212 4.343 4.556 -0.001 0.000 0.311 452 H C 0.742 176.082 175.328 0.020 0.000 1.175 452 H CA 0.881 56.906 56.048 -0.038 0.000 1.143 452 H CB -1.416 28.381 29.762 0.059 0.000 1.434 452 H HN 0.888 nan 8.280 nan 0.000 0.418 453 A N 0.172 123.008 122.820 0.026 0.000 2.589 453 A HA 0.151 4.470 4.320 -0.001 0.000 0.283 453 A C 1.934 179.514 177.584 -0.007 0.000 1.187 453 A CA 0.240 52.331 52.037 0.091 0.000 0.957 453 A CB 0.118 19.196 19.000 0.130 0.000 1.175 453 A HN 0.351 nan 8.150 nan 0.000 0.532 454 R N 0.005 120.418 120.500 -0.144 0.000 2.139 454 R HA -0.190 4.150 4.340 -0.001 0.000 0.243 454 R C 2.087 178.324 176.300 -0.106 0.000 1.145 454 R CA 1.723 57.703 56.100 -0.201 0.000 0.976 454 R CB -0.161 29.849 30.300 -0.482 0.000 0.866 454 R HN 0.508 nan 8.270 nan 0.000 0.449 455 A N 0.401 123.209 122.820 -0.020 0.000 1.873 455 A HA -0.094 4.225 4.320 -0.001 0.000 0.215 455 A C 2.326 179.916 177.584 0.010 0.000 1.186 455 A CA 1.602 53.668 52.037 0.048 0.000 0.616 455 A CB -0.793 18.312 19.000 0.176 0.000 0.823 455 A HN 0.504 nan 8.150 nan 0.000 0.442 456 A N -0.517 122.340 122.820 0.061 0.000 1.877 456 A HA -0.006 4.313 4.320 -0.001 0.000 0.216 456 A C 2.247 179.689 177.584 -0.236 0.000 1.186 456 A CA 1.837 53.784 52.037 -0.151 0.000 0.620 456 A CB -1.062 17.900 19.000 -0.064 0.000 0.822 456 A HN 0.395 nan 8.150 nan 0.000 0.443 457 V N -0.338 119.476 119.914 -0.168 0.000 2.255 457 V HA -0.259 3.860 4.120 -0.001 0.000 0.247 457 V C 2.575 178.599 176.094 -0.117 0.000 1.051 457 V CA 2.163 64.370 62.300 -0.154 0.000 1.018 457 V CB -0.875 30.897 31.823 -0.086 0.000 0.641 457 V HN 0.370 nan 8.190 nan 0.000 0.445 458 V N -0.371 119.488 119.914 -0.092 0.000 2.407 458 V HA -0.225 3.894 4.120 -0.001 0.000 0.248 458 V C 2.553 178.603 176.094 -0.073 0.000 1.055 458 V CA 2.227 64.486 62.300 -0.069 0.000 1.049 458 V CB -0.559 31.229 31.823 -0.058 0.000 0.662 458 V HN 0.541 nan 8.190 nan 0.000 0.455 459 S N -0.532 115.106 115.700 -0.104 0.000 2.368 459 S HA -0.142 4.327 4.470 -0.001 0.000 0.225 459 S C 1.938 176.480 174.600 -0.097 0.000 1.030 459 S CA 1.405 59.533 58.200 -0.120 0.000 0.999 459 S CB -0.274 62.809 63.200 -0.195 0.000 0.844 459 S HN 0.373 nan 8.310 nan 0.000 0.459 460 M N 1.036 120.567 119.600 -0.117 0.000 2.394 460 M HA 0.078 4.557 4.480 -0.001 0.000 0.264 460 M C 1.798 178.108 176.300 0.017 0.000 1.073 460 M CA 0.931 56.197 55.300 -0.057 0.000 1.111 460 M CB -1.069 31.452 32.600 -0.131 0.000 1.401 460 M HN 0.182 nan 8.290 nan 0.000 0.448 461 E N 0.384 120.580 120.200 -0.007 0.000 2.106 461 E HA -0.023 4.326 4.350 -0.001 0.000 0.192 461 E C 2.108 178.759 176.600 0.084 0.000 0.984 461 E CA 1.307 57.734 56.400 0.045 0.000 0.806 461 E CB -0.233 29.466 29.700 -0.002 0.000 0.750 461 E HN 0.444 nan 8.360 nan 0.000 0.458 462 A N 1.390 124.225 122.820 0.025 0.000 1.930 462 A HA -0.177 4.142 4.320 -0.001 0.000 0.217 462 A C 2.212 179.809 177.584 0.021 0.000 1.175 462 A CA 1.571 53.616 52.037 0.015 0.000 0.627 462 A CB -0.436 18.553 19.000 -0.020 0.000 0.815 462 A HN 0.127 nan 8.150 nan 0.000 0.443 463 R N -1.888 118.629 120.500 0.028 0.000 2.075 463 R HA -0.189 4.150 4.340 -0.001 0.000 0.232 463 R C 2.067 178.399 176.300 0.054 0.000 1.126 463 R CA 1.872 57.993 56.100 0.035 0.000 0.963 463 R CB -0.550 29.780 30.300 0.050 0.000 0.858 463 R HN 0.588 nan 8.270 nan 0.000 0.435 464 Y N 1.775 122.085 120.300 0.017 0.000 2.053 464 Y HA -0.277 4.273 4.550 -0.001 0.000 0.277 464 Y C 1.961 177.890 175.900 0.048 0.000 1.159 464 Y CA 1.878 59.993 58.100 0.025 0.000 1.125 464 Y CB -0.084 38.370 38.460 -0.011 0.000 0.969 464 Y HN -0.072 nan 8.280 nan 0.000 0.492 465 K N 0.684 121.069 120.400 -0.024 0.000 2.063 465 K HA -0.240 4.080 4.320 -0.001 0.000 0.208 465 K C 2.178 178.731 176.600 -0.078 0.000 1.048 465 K CA 1.873 58.131 56.287 -0.049 0.000 0.928 465 K CB -0.478 32.060 32.500 0.063 0.000 0.713 465 K HN 0.415 nan 8.250 nan 0.000 0.442 466 K N 1.065 121.430 120.400 -0.059 0.000 2.025 466 K HA -0.078 4.241 4.320 -0.001 0.000 0.207 466 K C 2.271 178.822 176.600 -0.081 0.000 1.049 466 K CA 0.912 57.167 56.287 -0.053 0.000 0.933 466 K CB -0.045 32.434 32.500 -0.035 0.000 0.714 466 K HN 0.012 nan 8.250 nan 0.000 0.438 467 L N -0.106 121.054 121.223 -0.105 0.000 2.156 467 L HA -0.131 4.208 4.340 -0.001 0.000 0.208 467 L C 2.600 179.375 176.870 -0.159 0.000 1.095 467 L CA 1.296 56.072 54.840 -0.106 0.000 0.770 467 L CB -0.489 41.529 42.059 -0.069 0.000 0.914 467 L HN 0.388 nan 8.230 nan 0.000 0.439 468 H N 0.247 119.081 119.070 -0.394 0.000 2.387 468 H HA -0.133 4.423 4.556 -0.001 0.000 0.299 468 H C 2.143 177.350 175.328 -0.202 0.000 1.090 468 H CA 1.467 57.281 56.048 -0.390 0.000 1.332 468 H CB 0.112 29.437 29.762 -0.729 0.000 1.386 468 H HN 0.253 nan 8.280 nan 0.000 0.516 469 A N 0.721 123.414 122.820 -0.212 0.000 1.978 469 A HA -0.107 4.213 4.320 -0.001 0.000 0.220 469 A C 2.420 179.893 177.584 -0.186 0.000 1.170 469 A CA 1.682 53.609 52.037 -0.184 0.000 0.636 469 A CB -1.163 17.793 19.000 -0.073 0.000 0.810 469 A HN 0.642 nan 8.150 nan 0.000 0.448 470 A N -2.122 120.603 122.820 -0.157 0.000 2.251 470 A HA 0.426 4.745 4.320 -0.001 0.000 0.209 470 A C 1.765 179.269 177.584 -0.133 0.000 1.187 470 A CA 1.133 53.099 52.037 -0.117 0.000 0.823 470 A CB -0.839 18.112 19.000 -0.081 0.000 0.846 470 A HN 1.907 nan 8.150 nan 0.000 0.486 471 G N -0.290 108.389 108.800 -0.201 0.000 2.143 471 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.249 471 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.249 471 G C 0.174 175.008 174.900 -0.111 0.000 0.981 471 G CA 0.491 45.484 45.100 -0.179 0.000 0.665 471 G HN 0.550 nan 8.290 nan 0.000 0.528 472 K N 0.296 120.636 120.400 -0.100 0.000 2.363 472 K HA 0.354 4.673 4.320 -0.001 0.000 0.240 472 K C 1.104 177.681 176.600 -0.038 0.000 1.169 472 K CA -0.193 56.061 56.287 -0.055 0.000 1.131 472 K CB 0.782 33.256 32.500 -0.043 0.000 1.771 472 K HN 0.221 nan 8.250 nan 0.000 0.380 473 E N 1.451 121.645 120.200 -0.011 0.000 2.106 473 E HA -0.198 4.152 4.350 -0.001 0.000 0.192 473 E C 1.171 177.808 176.600 0.062 0.000 0.984 473 E CA 1.698 58.130 56.400 0.053 0.000 0.806 473 E CB 0.317 30.072 29.700 0.091 0.000 0.750 473 E HN 0.347 nan 8.360 nan 0.000 0.458 474 Q N 0.244 120.060 119.800 0.026 0.000 2.083 474 Q HA -0.053 4.287 4.340 -0.001 0.000 0.198 474 Q C 2.033 178.031 176.000 -0.004 0.000 0.969 474 Q CA 1.535 57.344 55.803 0.011 0.000 0.838 474 Q CB -0.086 28.648 28.738 -0.007 0.000 0.900 474 Q HN 0.367 nan 8.270 nan 0.000 0.436 475 E N 0.373 120.572 120.200 -0.002 0.000 2.085 475 E HA -0.217 4.132 4.350 -0.001 0.000 0.194 475 E C 1.932 178.557 176.600 0.042 0.000 0.994 475 E CA 1.050 57.456 56.400 0.009 0.000 0.801 475 E CB -0.226 29.485 29.700 0.017 0.000 0.743 475 E HN 0.393 nan 8.360 nan 0.000 0.453 476 A N 1.616 124.458 122.820 0.038 0.000 1.933 476 A HA -0.178 4.142 4.320 -0.001 0.000 0.218 476 A C 1.820 179.560 177.584 0.260 0.000 1.175 476 A CA 1.386 53.465 52.037 0.069 0.000 0.628 476 A CB -0.272 18.628 19.000 -0.166 0.000 0.814 476 A HN 0.122 nan 8.150 nan 0.000 0.444 477 N N -0.698 118.127 118.700 0.209 0.000 2.412 477 N HA -0.024 4.716 4.740 -0.001 0.000 0.184 477 N C 1.444 176.961 175.510 0.013 0.000 1.101 477 N CA 0.737 53.880 53.050 0.155 0.000 0.881 477 N CB -0.061 38.492 38.487 0.110 0.000 0.969 477 N HN 0.750 nan 8.380 nan 0.000 0.459 478 E N -0.243 119.905 120.200 -0.085 0.000 2.070 478 E HA -0.145 4.204 4.350 -0.001 0.000 0.197 478 E C -0.010 176.291 176.600 -0.500 0.000 1.004 478 E CA 1.272 57.439 56.400 -0.387 0.000 0.805 478 E CB 0.046 29.363 29.700 -0.637 0.000 0.744 478 E HN 0.226 nan 8.360 nan 0.000 0.451 479 F N -0.067 119.948 119.950 0.108 0.000 2.698 479 F HA 0.312 4.838 4.527 -0.001 0.000 0.304 479 F C 0.587 176.430 175.800 0.070 0.000 1.108 479 F CA -0.493 57.599 58.000 0.153 0.000 1.263 479 F CB 0.340 39.474 39.000 0.224 0.000 1.013 479 F HN -0.204 nan 8.300 nan 0.000 0.532 480 R N 1.273 121.857 120.500 0.141 0.000 2.623 480 R HA 0.212 4.551 4.340 -0.001 0.000 0.271 480 R C 0.451 176.727 176.300 -0.039 0.000 1.043 480 R CA 0.228 56.347 56.100 0.033 0.000 1.083 480 R CB 0.448 30.742 30.300 -0.009 0.000 0.974 480 R HN 0.357 nan 8.270 nan 0.000 0.436 481 L N 3.813 124.969 121.223 -0.111 0.000 2.959 481 L HA 0.273 4.613 4.340 -0.001 0.000 0.259 481 L C -0.662 176.157 176.870 -0.085 0.000 1.185 481 L CA -0.254 54.504 54.840 -0.136 0.000 0.998 481 L CB 1.079 42.979 42.059 -0.265 0.000 1.337 481 L HN 0.282 nan 8.230 nan 0.000 0.555 482 V N -0.032 119.828 119.914 -0.090 0.000 2.555 482 V HA 0.278 4.397 4.120 -0.001 0.000 0.302 482 V C -0.709 175.333 176.094 -0.088 0.000 1.038 482 V CA -0.635 61.621 62.300 -0.074 0.000 0.887 482 V CB 2.523 34.286 31.823 -0.100 0.000 0.991 482 V HN 0.017 nan 8.190 nan 0.000 0.434 483 D N 3.763 124.134 120.400 -0.047 0.000 2.347 483 D HA 0.163 4.803 4.640 -0.001 0.000 0.235 483 D C 0.925 177.187 176.300 -0.064 0.000 1.149 483 D CA -0.229 53.739 54.000 -0.053 0.000 0.850 483 D CB 1.713 42.503 40.800 -0.017 0.000 1.061 483 D HN 0.374 nan 8.370 nan 0.000 0.487 484 Q N 1.839 121.579 119.800 -0.100 0.000 2.234 484 Q HA -0.116 4.224 4.340 -0.001 0.000 0.206 484 Q C 1.715 177.673 176.000 -0.070 0.000 0.980 484 Q CA 1.500 57.237 55.803 -0.110 0.000 0.869 484 Q CB -0.383 28.270 28.738 -0.140 0.000 0.912 484 Q HN 0.745 nan 8.270 nan 0.000 0.436 485 T N -2.628 111.896 114.554 -0.051 0.000 3.067 485 T HA -0.016 4.333 4.350 -0.001 0.000 0.261 485 T C 0.621 175.306 174.700 -0.024 0.000 1.110 485 T CA 0.003 62.082 62.100 -0.034 0.000 1.113 485 T CB 0.090 68.943 68.868 -0.026 0.000 0.917 485 T HN -0.089 nan 8.240 nan 0.000 0.499 486 D N 3.101 123.491 120.400 -0.018 0.000 2.358 486 D HA 0.120 4.759 4.640 -0.001 0.000 0.258 486 D C 0.889 177.176 176.300 -0.022 0.000 1.223 486 D CA 0.299 54.296 54.000 -0.004 0.000 0.886 486 D CB 1.214 42.032 40.800 0.029 0.000 1.120 486 D HN 0.437 nan 8.370 nan 0.000 0.482 487 T N -0.278 114.259 114.554 -0.028 0.000 3.182 487 T HA 0.196 4.546 4.350 -0.001 0.000 0.277 487 T C 0.737 175.405 174.700 -0.054 0.000 1.013 487 T CA -0.592 61.484 62.100 -0.039 0.000 0.900 487 T CB -0.073 68.774 68.868 -0.035 0.000 1.098 487 T HN 0.119 nan 8.240 nan 0.000 0.543 488 S N 3.115 118.773 115.700 -0.069 0.000 2.554 488 S HA 0.144 4.613 4.470 -0.001 0.000 0.290 488 S C 0.366 174.894 174.600 -0.119 0.000 1.309 488 S CA -0.097 58.037 58.200 -0.111 0.000 1.047 488 S CB 0.012 63.104 63.200 -0.180 0.000 0.828 488 S HN 0.657 nan 8.310 nan 0.000 0.509 489 N N 1.527 120.153 118.700 -0.123 0.000 2.626 489 N HA 0.340 5.080 4.740 -0.001 0.000 0.249 489 N C -0.888 174.542 175.510 -0.134 0.000 1.021 489 N CA -0.249 52.736 53.050 -0.107 0.000 0.886 489 N CB 1.248 39.687 38.487 -0.080 0.000 1.149 489 N HN 0.520 nan 8.380 nan 0.000 0.517 490 T N 0.826 115.287 114.554 -0.155 0.000 2.906 490 T HA 0.656 5.005 4.350 -0.001 0.000 0.295 490 T C -1.121 173.553 174.700 -0.043 0.000 1.061 490 T CA -0.321 61.674 62.100 -0.174 0.000 1.000 490 T CB 1.088 69.708 68.868 -0.413 0.000 1.103 490 T HN 0.236 nan 8.240 nan 0.000 0.486 491 T N 2.809 117.363 114.554 0.000 0.000 2.841 491 T HA 0.573 4.923 4.350 -0.001 0.000 0.285 491 T C 0.077 174.825 174.700 0.080 0.000 0.991 491 T CA -0.704 61.440 62.100 0.074 0.000 0.966 491 T CB 1.333 70.236 68.868 0.059 0.000 0.962 491 T HN 0.882 nan 8.240 nan 0.000 0.438 492 S N 1.861 117.613 115.700 0.088 0.000 2.655 492 S HA 0.316 4.785 4.470 -0.001 0.000 0.265 492 S C 1.604 176.063 174.600 -0.236 0.000 1.240 492 S CA -0.721 57.456 58.200 -0.038 0.000 0.986 492 S CB 0.529 63.631 63.200 -0.162 0.000 0.985 492 S HN 0.343 nan 8.310 nan 0.000 0.562 493 V N 1.085 120.854 119.914 -0.242 0.000 2.568 493 V HA -0.140 3.980 4.120 -0.001 0.000 0.253 493 V C 1.980 177.717 176.094 -0.595 0.000 1.072 493 V CA 1.935 64.015 62.300 -0.366 0.000 1.084 493 V CB -1.086 30.614 31.823 -0.205 0.000 0.676 493 V HN 0.825 nan 8.190 nan 0.000 0.469 494 Q N -1.485 118.089 119.800 -0.376 0.000 2.246 494 Q HA 0.310 4.649 4.340 -0.001 0.000 0.202 494 Q C -0.010 175.779 176.000 -0.351 0.000 0.883 494 Q CA -0.200 55.434 55.803 -0.282 0.000 0.952 494 Q CB 0.116 28.913 28.738 0.098 0.000 1.078 494 Q HN 0.544 nan 8.270 nan 0.000 0.493 495 F N -2.046 117.829 119.950 -0.125 0.000 3.058 495 F HA -0.250 4.276 4.527 -0.001 0.000 0.295 495 F C -0.422 175.250 175.800 -0.214 0.000 0.875 495 F CA -0.059 57.854 58.000 -0.144 0.000 1.150 495 F CB -2.683 36.188 39.000 -0.214 0.000 1.175 495 F HN -0.005 nan 8.300 nan 0.000 0.599 496 F N 0.032 120.032 119.950 0.084 0.000 2.411 496 F HA 0.473 4.999 4.527 -0.001 0.000 0.324 496 F C 1.203 177.045 175.800 0.070 0.000 1.086 496 F CA -0.543 57.483 58.000 0.042 0.000 1.028 496 F CB 0.467 39.434 39.000 -0.055 0.000 1.284 496 F HN -0.010 nan 8.300 nan 0.000 0.501 497 N N 0.482 119.348 118.700 0.277 0.000 2.645 497 N HA 0.159 4.898 4.740 -0.001 0.000 0.308 497 N C 1.392 177.051 175.510 0.248 0.000 1.335 497 N CA -0.301 52.860 53.050 0.185 0.000 0.909 497 N CB 0.567 39.105 38.487 0.085 0.000 1.109 497 N HN 0.626 nan 8.380 nan 0.000 0.555 498 R N 0.423 120.987 120.500 0.106 0.000 2.249 498 R HA -0.059 4.280 4.340 -0.001 0.000 0.230 498 R C 1.232 177.654 176.300 0.203 0.000 1.121 498 R CA 1.341 57.486 56.100 0.074 0.000 0.997 498 R CB -0.342 29.900 30.300 -0.096 0.000 0.867 498 R HN 0.516 nan 8.270 nan 0.000 0.465 499 Q N 0.655 120.532 119.800 0.129 0.000 2.500 499 Q HA -0.035 4.304 4.340 -0.001 0.000 0.213 499 Q C 1.641 177.660 176.000 0.031 0.000 0.974 499 Q CA 1.093 56.938 55.803 0.070 0.000 0.918 499 Q CB 0.188 28.937 28.738 0.018 0.000 0.980 499 Q HN 0.385 nan 8.270 nan 0.000 0.505 500 S N -0.332 115.386 115.700 0.030 0.000 2.489 500 S HA -0.041 4.429 4.470 -0.001 0.000 0.228 500 S C -0.224 174.232 174.600 -0.240 0.000 0.995 500 S CA 0.141 58.193 58.200 -0.246 0.000 0.934 500 S CB 0.150 63.084 63.200 -0.444 0.000 0.771 500 S HN 0.219 nan 8.310 nan 0.000 0.522 501 Y N 1.756 122.056 120.300 0.001 0.000 2.342 501 Y HA 0.487 5.036 4.550 -0.001 0.000 0.338 501 Y C 0.044 176.080 175.900 0.226 0.000 0.965 501 Y CA -1.399 56.784 58.100 0.138 0.000 1.159 501 Y CB 0.510 38.989 38.460 0.031 0.000 1.157 501 Y HN 0.093 nan 8.280 nan 0.000 0.486 502 L N 3.937 125.330 121.223 0.283 0.000 2.426 502 L HA 0.281 4.621 4.340 -0.001 0.000 0.271 502 L C 0.262 177.171 176.870 0.065 0.000 1.169 502 L CA -0.228 54.670 54.840 0.097 0.000 0.836 502 L CB 0.641 42.701 42.059 0.001 0.000 1.112 502 L HN 0.673 nan 8.230 nan 0.000 0.465 503 N N 6.166 124.837 118.700 -0.049 0.000 2.411 503 N HA 0.182 4.921 4.740 -0.001 0.000 0.259 503 N C -1.937 173.277 175.510 -0.493 0.000 1.103 503 N CA -1.709 51.172 53.050 -0.282 0.000 0.954 503 N CB 1.329 39.748 38.487 -0.113 0.000 1.085 503 N HN 0.490 nan 8.380 nan 0.000 0.485 504 P HA 0.097 nan 4.420 nan 0.000 0.241 504 P C 0.521 177.770 177.300 -0.084 0.000 1.191 504 P CA 0.343 63.013 63.100 -0.716 0.000 0.771 504 P CB 0.167 31.385 31.700 -0.803 0.000 0.929 505 c N -0.937 117.552 118.600 -0.184 0.000 2.799 505 c HA 0.292 4.861 4.570 -0.001 0.000 0.267 505 c C 1.286 175.376 174.090 -0.001 0.000 1.257 505 c CA -0.418 55.884 56.329 -0.045 0.000 1.702 505 c CB -1.170 41.266 42.510 -0.123 0.000 1.934 505 c HN 0.105 nan 8.230 nan 0.000 0.594 506 L N 1.739 122.955 121.223 -0.011 0.000 2.371 506 L HA 0.212 4.551 4.340 -0.001 0.000 0.272 506 L C 0.988 177.895 176.870 0.061 0.000 1.124 506 L CA -0.128 54.719 54.840 0.011 0.000 0.816 506 L CB 0.547 42.599 42.059 -0.011 0.000 1.129 506 L HN 0.098 nan 8.230 nan 0.000 0.448 507 D N 0.140 120.566 120.400 0.043 0.000 2.178 507 D HA -0.140 4.499 4.640 -0.001 0.000 0.202 507 D C 2.118 178.456 176.300 0.062 0.000 0.974 507 D CA 1.587 55.618 54.000 0.052 0.000 0.841 507 D CB 0.162 40.974 40.800 0.020 0.000 0.953 507 D HN 0.674 nan 8.370 nan 0.000 0.478 508 S N -0.418 115.307 115.700 0.041 0.000 2.399 508 S HA -0.098 4.371 4.470 -0.001 0.000 0.231 508 S C 2.121 176.817 174.600 0.161 0.000 1.022 508 S CA 1.041 59.273 58.200 0.052 0.000 0.983 508 S CB -0.284 62.925 63.200 0.015 0.000 0.803 508 S HN 0.006 nan 8.310 nan 0.000 0.480 509 S N 1.777 117.564 115.700 0.144 0.000 2.382 509 S HA -0.083 4.386 4.470 -0.001 0.000 0.228 509 S C 2.126 176.935 174.600 0.350 0.000 1.027 509 S CA 1.160 59.489 58.200 0.216 0.000 0.991 509 S CB -0.395 62.877 63.200 0.120 0.000 0.823 509 S HN 0.598 nan 8.310 nan 0.000 0.469 510 Q N 0.344 120.306 119.800 0.269 0.000 2.172 510 Q HA 0.029 4.369 4.340 -0.001 0.000 0.200 510 Q C 2.359 178.485 176.000 0.210 0.000 0.964 510 Q CA 0.732 56.669 55.803 0.222 0.000 0.855 510 Q CB -0.072 28.749 28.738 0.138 0.000 0.918 510 Q HN 0.449 nan 8.270 nan 0.000 0.444 511 R N -0.356 120.271 120.500 0.213 0.000 2.096 511 R HA -0.139 4.201 4.340 -0.001 0.000 0.235 511 R C 2.059 178.636 176.300 0.462 0.000 1.127 511 R CA 1.255 57.500 56.100 0.242 0.000 0.968 511 R CB -0.291 30.049 30.300 0.067 0.000 0.861 511 R HN 0.209 nan 8.270 nan 0.000 0.440 512 F N 1.082 121.259 119.950 0.378 0.000 2.113 512 F HA -0.196 4.330 4.527 -0.001 0.000 0.297 512 F C 2.028 177.929 175.800 0.168 0.000 1.103 512 F CA 1.282 59.473 58.000 0.317 0.000 1.248 512 F CB -0.182 38.961 39.000 0.239 0.000 0.999 512 F HN -0.287 nan 8.300 nan 0.000 0.475 513 V N 0.283 120.396 119.914 0.331 0.000 2.343 513 V HA -0.307 3.813 4.120 -0.001 0.000 0.247 513 V C 2.034 178.090 176.094 -0.064 0.000 1.051 513 V CA 2.214 64.609 62.300 0.158 0.000 1.036 513 V CB -0.844 31.133 31.823 0.256 0.000 0.654 513 V HN 0.341 nan 8.190 nan 0.000 0.451 514 D N 0.215 120.623 120.400 0.014 0.000 2.117 514 D HA -0.209 4.430 4.640 -0.001 0.000 0.197 514 D C 2.122 178.372 176.300 -0.082 0.000 0.987 514 D CA 1.420 55.428 54.000 0.013 0.000 0.829 514 D CB -0.105 40.778 40.800 0.138 0.000 0.961 514 D HN 0.302 nan 8.370 nan 0.000 0.460 515 K N 0.008 120.377 120.400 -0.051 0.000 2.032 515 K HA -0.087 4.233 4.320 -0.001 0.000 0.209 515 K C 1.927 178.374 176.600 -0.255 0.000 1.048 515 K CA 1.342 57.551 56.287 -0.131 0.000 0.927 515 K CB -0.691 31.688 32.500 -0.202 0.000 0.712 515 K HN 0.090 nan 8.250 nan 0.000 0.441 516 V N 0.953 120.655 119.914 -0.352 0.000 2.307 516 V HA -0.205 3.914 4.120 -0.001 0.000 0.245 516 V C 2.331 178.320 176.094 -0.176 0.000 1.045 516 V CA 1.948 64.107 62.300 -0.235 0.000 1.024 516 V CB -0.384 31.338 31.823 -0.168 0.000 0.651 516 V HN 0.296 nan 8.190 nan 0.000 0.449 517 I N 0.649 120.956 120.570 -0.440 0.000 2.179 517 I HA -0.183 3.986 4.170 -0.001 0.000 0.242 517 I C 2.637 178.380 176.117 -0.623 0.000 1.088 517 I CA 1.763 62.555 61.300 -0.846 0.000 1.357 517 I CB -1.010 36.208 38.000 -1.304 0.000 1.051 517 I HN 0.405 nan 8.210 nan 0.000 0.409 518 G N 0.507 108.904 108.800 -0.671 0.000 2.491 518 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.218 518 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.218 518 G C 1.545 176.391 174.900 -0.090 0.000 1.180 518 G CA 0.729 45.643 45.100 -0.309 0.000 0.774 518 G HN 0.294 nan 8.290 nan 0.000 0.562 519 E N 0.512 120.668 120.200 -0.074 0.000 2.051 519 E HA -0.076 4.273 4.350 -0.001 0.000 0.192 519 E C 2.662 179.304 176.600 0.070 0.000 0.991 519 E CA 0.690 57.090 56.400 0.000 0.000 0.799 519 E CB -0.344 29.341 29.700 -0.026 0.000 0.748 519 E HN 0.537 nan 8.360 nan 0.000 0.449 520 I N 1.061 121.692 120.570 0.102 0.000 2.394 520 I HA -0.214 3.955 4.170 -0.001 0.000 0.251 520 I C 2.443 178.772 176.117 0.353 0.000 1.136 520 I CA 0.846 62.293 61.300 0.245 0.000 1.425 520 I CB -0.335 37.850 38.000 0.308 0.000 1.079 520 I HN -0.014 nan 8.210 nan 0.000 0.425 521 A N 0.295 123.232 122.820 0.196 0.000 1.933 521 A HA -0.276 4.043 4.320 -0.001 0.000 0.218 521 A C 2.247 179.958 177.584 0.211 0.000 1.175 521 A CA 1.795 53.938 52.037 0.177 0.000 0.628 521 A CB -0.513 18.522 19.000 0.059 0.000 0.814 521 A HN 0.389 nan 8.150 nan 0.000 0.444 522 Q N -0.250 119.648 119.800 0.164 0.000 2.119 522 Q HA -0.074 4.265 4.340 -0.001 0.000 0.201 522 Q C 1.938 178.038 176.000 0.168 0.000 0.972 522 Q CA 2.052 57.940 55.803 0.142 0.000 0.847 522 Q CB -0.487 28.313 28.738 0.103 0.000 0.903 522 Q HN 0.705 nan 8.270 nan 0.000 0.433 523 M N -0.914 118.815 119.600 0.215 0.000 2.080 523 M HA -0.205 4.274 4.480 -0.001 0.000 0.260 523 M C 2.096 178.507 176.300 0.185 0.000 1.068 523 M CA 1.642 57.072 55.300 0.218 0.000 1.109 523 M CB -0.634 32.159 32.600 0.323 0.000 1.342 523 M HN 0.339 nan 8.290 nan 0.000 0.405 524 H N 0.616 119.797 119.070 0.185 0.000 2.352 524 H HA -0.112 4.444 4.556 -0.001 0.000 0.299 524 H C 2.070 177.449 175.328 0.085 0.000 1.097 524 H CA 1.531 57.656 56.048 0.129 0.000 1.311 524 H CB -0.079 29.777 29.762 0.158 0.000 1.377 524 H HN 0.420 nan 8.280 nan 0.000 0.504 525 K N 0.719 121.243 120.400 0.206 0.000 2.057 525 K HA -0.121 4.198 4.320 -0.001 0.000 0.206 525 K C 2.085 178.736 176.600 0.085 0.000 1.050 525 K CA 1.136 57.498 56.287 0.125 0.000 0.935 525 K CB 0.006 32.571 32.500 0.109 0.000 0.715 525 K HN 0.432 nan 8.250 nan 0.000 0.439 526 E N 0.512 120.761 120.200 0.083 0.000 2.204 526 E HA -0.130 4.220 4.350 -0.001 0.000 0.194 526 E C 1.747 178.366 176.600 0.032 0.000 0.989 526 E CA 0.866 57.300 56.400 0.056 0.000 0.824 526 E CB -0.013 29.724 29.700 0.062 0.000 0.756 526 E HN 0.303 nan 8.360 nan 0.000 0.477 527 A N 0.362 123.192 122.820 0.017 0.000 2.208 527 A HA 0.229 4.548 4.320 -0.001 0.000 0.209 527 A C 1.719 179.293 177.584 -0.016 0.000 1.161 527 A CA 0.802 52.824 52.037 -0.025 0.000 0.782 527 A CB -0.221 18.717 19.000 -0.104 0.000 0.816 527 A HN 0.322 nan 8.150 nan 0.000 0.477 528 G N -1.576 107.233 108.800 0.015 0.000 2.132 528 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.234 528 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.234 528 G C 0.035 174.950 174.900 0.025 0.000 0.989 528 G CA 0.411 45.520 45.100 0.016 0.000 0.676 528 G HN 0.781 nan 8.290 nan 0.000 0.522 529 Q N 0.027 119.861 119.800 0.057 0.000 3.605 529 Q HA 0.366 4.705 4.340 -0.001 0.000 0.222 529 Q C -2.819 173.293 176.000 0.186 0.000 0.915 529 Q CA -1.731 54.127 55.803 0.091 0.000 0.731 529 Q CB 1.599 30.378 28.738 0.067 0.000 1.423 529 Q HN 0.215 nan 8.270 nan 0.000 0.446 530 P HA -0.066 nan 4.420 nan 0.000 0.261 530 P C -0.195 177.177 177.300 0.119 0.000 1.173 530 P CA 0.598 63.785 63.100 0.145 0.000 0.760 530 P CB 0.456 32.211 31.700 0.093 0.000 0.783 531 I N 3.333 123.932 120.570 0.047 0.000 2.845 531 I HA -0.156 4.013 4.170 -0.001 0.000 0.296 531 I C 1.596 177.733 176.117 0.033 0.000 1.216 531 I CA 0.914 62.179 61.300 -0.060 0.000 1.438 531 I CB 0.203 38.124 38.000 -0.131 0.000 1.342 531 I HN 0.448 nan 8.210 nan 0.000 0.577 532 K N 2.737 123.162 120.400 0.042 0.000 2.287 532 K HA 0.158 4.477 4.320 -0.001 0.000 0.199 532 K C 0.074 176.713 176.600 0.065 0.000 1.061 532 K CA 0.618 56.940 56.287 0.058 0.000 0.976 532 K CB 0.516 33.055 32.500 0.064 0.000 0.898 532 K HN 0.595 nan 8.250 nan 0.000 0.492 533 T N 0.424 115.015 114.554 0.062 0.000 2.881 533 T HA 0.182 4.531 4.350 -0.001 0.000 0.290 533 T C -1.929 172.834 174.700 0.105 0.000 1.000 533 T CA -0.661 61.482 62.100 0.072 0.000 0.978 533 T CB 1.584 70.476 68.868 0.041 0.000 0.997 533 T HN 0.163 nan 8.240 nan 0.000 0.443 534 W N 5.269 126.558 121.300 -0.020 0.000 2.349 534 W HA 0.340 5.000 4.660 -0.001 0.000 0.309 534 W C -1.013 175.538 176.519 0.054 0.000 1.083 534 W CA -0.374 56.978 57.345 0.011 0.000 1.224 534 W CB 0.678 30.149 29.460 0.019 0.000 1.256 534 W HN 0.602 nan 8.180 nan 0.000 0.461 535 H N 7.799 126.516 119.070 -0.589 0.000 2.541 535 H HA 0.119 4.674 4.556 -0.001 0.000 0.316 535 H C -0.016 175.164 175.328 -0.246 0.000 1.043 535 H CA -0.374 55.457 56.048 -0.361 0.000 1.232 535 H CB 0.711 30.201 29.762 -0.454 0.000 1.406 535 H HN 0.525 nan 8.280 nan 0.000 0.469 536 F N 3.037 123.077 119.950 0.150 0.000 2.660 536 F HA 0.345 4.871 4.527 -0.001 0.000 0.302 536 F C 1.171 177.215 175.800 0.407 0.000 1.103 536 F CA 0.211 58.419 58.000 0.345 0.000 1.340 536 F CB 0.240 39.485 39.000 0.408 0.000 1.048 536 F HN 0.730 nan 8.300 nan 0.000 0.551 537 G N 1.192 110.114 108.800 0.205 0.000 3.487 537 G HA2 -0.060 3.900 3.960 -0.001 0.000 0.295 537 G HA3 -0.060 3.900 3.960 -0.001 0.000 0.295 537 G C 1.191 176.148 174.900 0.096 0.000 1.454 537 G CA 0.615 45.944 45.100 0.383 0.000 1.039 537 G HN 1.681 nan 8.290 nan 0.000 0.624 538 G N 0.152 109.025 108.800 0.121 0.000 2.212 538 G HA2 0.308 4.267 3.960 -0.001 0.000 0.255 538 G HA3 0.308 4.267 3.960 -0.001 0.000 0.255 538 G C 0.790 175.891 174.900 0.335 0.000 1.062 538 G CA 0.991 46.205 45.100 0.189 0.000 0.815 538 G HN 2.405 nan 8.290 nan 0.000 0.497 539 A N 0.090 123.102 122.820 0.321 0.000 2.280 539 A HA 0.630 4.949 4.320 -0.001 0.000 0.268 539 A C 1.092 178.854 177.584 0.297 0.000 1.111 539 A CA 0.359 52.523 52.037 0.211 0.000 0.814 539 A CB 0.256 19.230 19.000 -0.043 0.000 1.093 539 A HN 1.330 nan 8.150 nan 0.000 0.498 540 E N 0.401 120.768 120.200 0.277 0.000 2.603 540 E HA 0.154 4.504 4.350 -0.001 0.000 0.242 540 E C -0.168 176.564 176.600 0.220 0.000 1.083 540 E CA 0.725 57.270 56.400 0.242 0.000 0.950 540 E CB -0.233 29.578 29.700 0.185 0.000 0.952 540 E HN 0.672 nan 8.360 nan 0.000 0.498 541 A N 5.456 128.432 122.820 0.260 0.000 3.095 541 A HA 0.316 4.636 4.320 -0.001 0.000 0.301 541 A C -0.384 177.328 177.584 0.213 0.000 1.432 541 A CA -0.798 51.416 52.037 0.295 0.000 1.140 541 A CB -0.065 19.187 19.000 0.421 0.000 1.174 541 A HN 0.518 nan 8.150 nan 0.000 0.546 542 K N 0.023 120.527 120.400 0.172 0.000 2.480 542 K HA 0.383 4.702 4.320 -0.001 0.000 0.258 542 K C -1.066 175.560 176.600 0.043 0.000 0.990 542 K CA -1.241 55.086 56.287 0.065 0.000 0.857 542 K CB 0.416 32.950 32.500 0.056 0.000 1.384 542 K HN 0.121 nan 8.250 nan 0.000 0.446 543 N N 1.661 120.336 118.700 -0.043 0.000 2.406 543 N HA 0.106 4.845 4.740 -0.001 0.000 0.251 543 N C 0.867 176.369 175.510 -0.013 0.000 1.069 543 N CA -0.603 52.414 53.050 -0.054 0.000 0.947 543 N CB 0.202 38.619 38.487 -0.116 0.000 1.111 543 N HN 0.734 nan 8.380 nan 0.000 0.497 544 I N 1.132 121.705 120.570 0.006 0.000 2.700 544 I HA -0.078 4.092 4.170 -0.001 0.000 0.261 544 I C 1.350 177.507 176.117 0.067 0.000 1.219 544 I CA 0.762 62.091 61.300 0.048 0.000 1.463 544 I CB 0.005 38.035 38.000 0.048 0.000 1.092 544 I HN 0.176 nan 8.210 nan 0.000 0.452 545 R N 1.534 121.991 120.500 -0.073 0.000 2.280 545 R HA 0.163 4.503 4.340 -0.001 0.000 0.207 545 R C 1.596 177.849 176.300 -0.078 0.000 1.043 545 R CA 0.795 56.755 56.100 -0.232 0.000 1.006 545 R CB -0.648 29.501 30.300 -0.252 0.000 0.885 545 R HN 0.504 nan 8.270 nan 0.000 0.467 546 L N -0.101 121.117 121.223 -0.009 0.000 2.700 546 L HA 0.260 4.599 4.340 -0.001 0.000 0.234 546 L C 1.130 178.023 176.870 0.038 0.000 1.156 546 L CA -0.414 54.430 54.840 0.006 0.000 0.946 546 L CB 0.279 42.328 42.059 -0.016 0.000 1.216 546 L HN 0.019 nan 8.230 nan 0.000 0.493 547 G N -0.566 108.291 108.800 0.096 0.000 2.634 547 G HA2 0.315 4.275 3.960 -0.001 0.000 0.255 547 G HA3 0.315 4.275 3.960 -0.001 0.000 0.255 547 G C 1.024 175.906 174.900 -0.030 0.000 1.205 547 G CA 0.240 45.374 45.100 0.057 0.000 0.884 547 G HN 0.193 nan 8.290 nan 0.000 0.549 548 A N -0.283 122.505 122.820 -0.054 0.000 2.015 548 A HA 0.132 4.451 4.320 -0.001 0.000 0.219 548 A C 2.376 179.578 177.584 -0.637 0.000 1.163 548 A CA 1.905 53.860 52.037 -0.137 0.000 0.646 548 A CB -0.458 18.616 19.000 0.124 0.000 0.806 548 A HN 1.022 nan 8.150 nan 0.000 0.448 549 G N -2.250 105.925 108.800 -1.041 0.000 2.920 549 G HA2 0.269 4.228 3.960 -0.001 0.000 0.208 549 G HA3 0.269 4.228 3.960 -0.001 0.000 0.208 549 G C 0.190 174.309 174.900 -1.301 0.000 1.159 549 G CA 0.126 43.892 45.100 -2.224 0.000 0.784 549 G HN 0.408 nan 8.290 nan 0.000 0.535 550 Y N -0.915 119.067 120.300 -0.530 0.000 2.487 550 Y HA 0.675 5.224 4.550 -0.001 0.000 0.337 550 Y C 0.438 176.185 175.900 -0.255 0.000 1.076 550 Y CA -0.831 57.077 58.100 -0.320 0.000 1.115 550 Y CB 2.185 40.522 38.460 -0.206 0.000 1.235 550 Y HN -0.127 nan 8.280 nan 0.000 0.468 551 T N 0.679 115.228 114.554 -0.007 0.000 2.901 551 T HA 0.291 4.641 4.350 -0.001 0.000 0.293 551 T C -1.703 172.984 174.700 -0.021 0.000 1.084 551 T CA -0.723 61.352 62.100 -0.042 0.000 1.008 551 T CB 1.301 70.132 68.868 -0.060 0.000 1.170 551 T HN 0.665 nan 8.240 nan 0.000 0.509 552 D N 0.512 120.896 120.400 -0.026 0.000 2.210 552 D HA 0.315 4.954 4.640 -0.001 0.000 0.249 552 D C 1.325 177.610 176.300 -0.025 0.000 1.062 552 D CA -0.501 53.483 54.000 -0.028 0.000 0.891 552 D CB 1.184 41.967 40.800 -0.027 0.000 1.186 552 D HN 0.552 nan 8.370 nan 0.000 0.432 553 K N 2.549 122.933 120.400 -0.028 0.000 2.209 553 K HA -0.134 4.186 4.320 -0.001 0.000 0.204 553 K C 1.586 178.174 176.600 -0.020 0.000 1.048 553 K CA 1.315 57.588 56.287 -0.024 0.000 0.940 553 K CB -0.124 32.359 32.500 -0.028 0.000 0.729 553 K HN 0.277 nan 8.250 nan 0.000 0.451 554 A N 1.338 124.146 122.820 -0.020 0.000 1.902 554 A HA -0.063 4.256 4.320 -0.001 0.000 0.217 554 A C 0.717 178.294 177.584 -0.013 0.000 1.181 554 A CA 1.156 53.183 52.037 -0.016 0.000 0.623 554 A CB -0.048 18.943 19.000 -0.016 0.000 0.818 554 A HN 0.180 nan 8.150 nan 0.000 0.443 555 K N -0.097 120.295 120.400 -0.013 0.000 2.656 555 K HA 0.371 4.691 4.320 -0.001 0.000 0.241 555 K C -3.188 173.405 176.600 -0.012 0.000 0.967 555 K CA -1.817 54.464 56.287 -0.010 0.000 0.946 555 K CB 1.631 34.127 32.500 -0.007 0.000 1.164 555 K HN 0.006 nan 8.250 nan 0.000 0.459 556 P HA 0.048 nan 4.420 nan 0.000 0.276 556 P C -0.438 176.857 177.300 -0.009 0.000 1.243 556 P CA 0.079 63.172 63.100 -0.012 0.000 0.768 556 P CB 0.628 32.323 31.700 -0.010 0.000 0.856 557 E N 4.641 124.832 120.200 -0.014 0.000 2.191 557 E HA 0.512 4.861 4.350 -0.001 0.000 0.274 557 E C -2.638 173.962 176.600 -0.000 0.000 0.948 557 E CA -2.731 53.667 56.400 -0.003 0.000 0.802 557 E CB 0.737 30.437 29.700 0.001 0.000 1.137 557 E HN 0.174 nan 8.360 nan 0.000 0.397 558 P HA 0.066 nan 4.420 nan 0.000 0.268 558 P C 0.613 177.941 177.300 0.047 0.000 1.208 558 P CA 1.005 64.122 63.100 0.028 0.000 0.777 558 P CB 0.408 32.129 31.700 0.036 0.000 0.875 559 G N 0.032 108.866 108.800 0.056 0.000 2.155 559 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.257 559 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.257 559 G C -0.018 174.934 174.900 0.087 0.000 0.983 559 G CA 0.268 45.431 45.100 0.105 0.000 0.676 559 G HN 0.587 nan 8.290 nan 0.000 0.528 560 K N -0.487 119.893 120.400 -0.032 0.000 2.395 560 K HA 0.595 4.914 4.320 -0.001 0.000 0.247 560 K C 0.481 176.998 176.600 -0.139 0.000 0.973 560 K CA -0.467 55.703 56.287 -0.196 0.000 0.828 560 K CB 1.851 34.181 32.500 -0.284 0.000 1.272 560 K HN 0.281 nan 8.250 nan 0.000 0.439 561 G N 1.948 110.631 108.800 -0.194 0.000 2.356 561 G HA2 0.241 4.200 3.960 -0.001 0.000 0.273 561 G HA3 0.241 4.200 3.960 -0.001 0.000 0.273 561 G C -0.032 174.902 174.900 0.056 0.000 1.213 561 G CA -0.392 44.690 45.100 -0.029 0.000 0.955 561 G HN 0.445 nan 8.290 nan 0.000 0.454 562 I N 3.885 124.462 120.570 0.011 0.000 2.363 562 I HA 0.252 4.421 4.170 -0.001 0.000 0.292 562 I C 0.640 176.749 176.117 -0.013 0.000 1.075 562 I CA 0.071 61.369 61.300 -0.003 0.000 1.333 562 I CB 0.187 38.178 38.000 -0.016 0.000 1.415 562 I HN 0.420 nan 8.210 nan 0.000 0.502 563 I N 1.879 122.432 120.570 -0.028 0.000 3.239 563 I HA 0.558 4.727 4.170 -0.001 0.000 0.314 563 I C -0.841 175.235 176.117 -0.068 0.000 1.126 563 I CA -1.019 60.238 61.300 -0.072 0.000 0.973 563 I CB 2.118 40.026 38.000 -0.153 0.000 1.252 563 I HN 0.216 nan 8.210 nan 0.000 0.463 564 D N 2.085 122.439 120.400 -0.076 0.000 2.411 564 D HA 0.197 4.836 4.640 -0.001 0.000 0.225 564 D C 0.062 176.318 176.300 -0.073 0.000 1.156 564 D CA 0.021 53.983 54.000 -0.063 0.000 0.874 564 D CB 1.081 41.847 40.800 -0.056 0.000 1.034 564 D HN 0.582 nan 8.370 nan 0.000 0.502 565 Q N 1.441 121.202 119.800 -0.064 0.000 2.320 565 Q HA 0.004 4.343 4.340 -0.001 0.000 0.201 565 Q C 1.508 177.476 176.000 -0.053 0.000 0.910 565 Q CA 0.022 55.785 55.803 -0.066 0.000 0.946 565 Q CB 0.327 29.031 28.738 -0.056 0.000 1.062 565 Q HN 0.481 nan 8.270 nan 0.000 0.503 566 S N 0.538 116.209 115.700 -0.047 0.000 2.561 566 S HA -0.085 4.384 4.470 -0.001 0.000 0.225 566 S C 1.030 175.604 174.600 -0.042 0.000 0.977 566 S CA 0.744 58.920 58.200 -0.039 0.000 0.926 566 S CB -0.341 62.839 63.200 -0.033 0.000 0.769 566 S HN 0.608 nan 8.310 nan 0.000 0.533 567 N N -0.208 118.462 118.700 -0.051 0.000 2.238 567 N HA 0.175 4.915 4.740 -0.001 0.000 0.235 567 N C -0.801 174.670 175.510 -0.064 0.000 1.209 567 N CA -0.553 52.466 53.050 -0.052 0.000 0.879 567 N CB 0.410 38.867 38.487 -0.050 0.000 1.136 567 N HN 0.122 nan 8.380 nan 0.000 0.517 568 E N 1.552 121.710 120.200 -0.070 0.000 2.227 568 E HA 0.221 4.570 4.350 -0.001 0.000 0.282 568 E C -0.673 175.877 176.600 -0.083 0.000 1.015 568 E CA -0.039 56.311 56.400 -0.084 0.000 0.823 568 E CB 1.594 31.239 29.700 -0.092 0.000 1.081 568 E HN 0.287 nan 8.360 nan 0.000 0.396 569 D N 1.619 121.957 120.400 -0.103 0.000 2.525 569 D HA 0.313 4.952 4.640 -0.001 0.000 0.249 569 D C -0.037 176.183 176.300 -0.133 0.000 1.072 569 D CA -0.701 53.237 54.000 -0.103 0.000 1.067 569 D CB 1.621 42.357 40.800 -0.106 0.000 1.282 569 D HN 0.078 nan 8.370 nan 0.000 0.587 570 K N 0.366 120.696 120.400 -0.117 0.000 2.098 570 K HA 0.356 4.676 4.320 -0.001 0.000 0.257 570 K C -2.402 174.036 176.600 -0.271 0.000 0.999 570 K CA -1.356 54.843 56.287 -0.146 0.000 0.924 570 K CB 0.363 32.828 32.500 -0.059 0.000 1.028 570 K HN 0.008 nan 8.250 nan 0.000 0.466 571 P HA -0.170 nan 4.420 nan 0.000 0.261 571 P C -0.531 176.414 177.300 -0.591 0.000 1.173 571 P CA 0.653 63.169 63.100 -0.973 0.000 0.760 571 P CB 0.181 30.975 31.700 -1.510 0.000 0.783 572 W N 0.684 121.879 121.300 -0.175 0.000 2.323 572 W HA -0.290 4.370 4.660 -0.001 0.000 0.261 572 W C 1.362 177.837 176.519 -0.072 0.000 1.029 572 W CA 0.575 57.860 57.345 -0.100 0.000 0.499 572 W CB -2.622 26.802 29.460 -0.061 0.000 2.045 572 W HN 0.451 nan 8.180 nan 0.000 1.374 573 A N 0.363 123.204 122.820 0.034 0.000 1.917 573 A HA -0.206 4.114 4.320 -0.001 0.000 0.219 573 A C 1.980 179.579 177.584 0.024 0.000 1.182 573 A CA 1.977 54.032 52.037 0.029 0.000 0.633 573 A CB -0.357 18.632 19.000 -0.019 0.000 0.819 573 A HN 0.131 nan 8.150 nan 0.000 0.448 574 K N 0.473 120.876 120.400 0.004 0.000 2.417 574 K HA 0.111 4.431 4.320 -0.001 0.000 0.196 574 K C 0.514 177.126 176.600 0.021 0.000 1.023 574 K CA 0.221 56.508 56.287 0.001 0.000 1.122 574 K CB -0.190 32.297 32.500 -0.022 0.000 0.850 574 K HN 0.359 nan 8.250 nan 0.000 0.521 575 S N 1.085 116.823 115.700 0.063 0.000 2.505 575 S HA 0.075 4.544 4.470 -0.001 0.000 0.276 575 S C 1.032 175.650 174.600 0.030 0.000 1.274 575 S CA -0.227 58.012 58.200 0.066 0.000 1.053 575 S CB 0.996 64.271 63.200 0.125 0.000 0.919 575 S HN 0.217 nan 8.310 nan 0.000 0.490 576 Q N 3.195 122.999 119.800 0.007 0.000 2.245 576 Q HA -0.029 4.310 4.340 -0.001 0.000 0.201 576 Q C 1.944 177.938 176.000 -0.011 0.000 0.955 576 Q CA 1.016 56.816 55.803 -0.004 0.000 0.870 576 Q CB -0.033 28.698 28.738 -0.011 0.000 0.945 576 Q HN 0.761 nan 8.270 nan 0.000 0.461 577 V N -0.111 119.793 119.914 -0.016 0.000 2.358 577 V HA -0.291 3.828 4.120 -0.001 0.000 0.246 577 V C 2.186 178.257 176.094 -0.039 0.000 1.047 577 V CA 1.376 63.659 62.300 -0.029 0.000 1.035 577 V CB -0.475 31.327 31.823 -0.035 0.000 0.658 577 V HN 0.487 nan 8.190 nan 0.000 0.452 578 c N -0.515 118.065 118.600 -0.034 0.000 2.435 578 c HA -0.149 4.420 4.570 -0.001 0.000 0.279 578 c C 2.852 176.922 174.090 -0.032 0.000 1.321 578 c CA 0.764 57.064 56.329 -0.048 0.000 1.752 578 c CB -1.003 41.502 42.510 -0.009 0.000 1.959 578 c HN 0.593 nan 8.230 nan 0.000 0.500 579 Q N 0.431 120.225 119.800 -0.010 0.000 2.124 579 Q HA -0.170 4.170 4.340 -0.001 0.000 0.202 579 Q C 2.287 178.272 176.000 -0.024 0.000 0.977 579 Q CA 2.176 57.973 55.803 -0.009 0.000 0.850 579 Q CB -0.258 28.479 28.738 -0.002 0.000 0.901 579 Q HN 0.879 nan 8.270 nan 0.000 0.429 580 T N -1.727 112.810 114.554 -0.029 0.000 2.985 580 T HA -0.045 4.304 4.350 -0.001 0.000 0.266 580 T C 1.695 176.366 174.700 -0.047 0.000 1.076 580 T CA 0.581 62.662 62.100 -0.033 0.000 1.135 580 T CB -0.051 68.801 68.868 -0.027 0.000 0.890 580 T HN 0.149 nan 8.240 nan 0.000 0.480 581 M N 0.330 119.890 119.600 -0.066 0.000 2.200 581 M HA 0.159 4.639 4.480 -0.001 0.000 0.265 581 M C 1.947 178.177 176.300 -0.116 0.000 1.066 581 M CA 1.376 56.615 55.300 -0.101 0.000 1.127 581 M CB -0.243 32.269 32.600 -0.147 0.000 1.379 581 M HN 0.241 nan 8.290 nan 0.000 0.420 582 I N -0.197 120.316 120.570 -0.094 0.000 2.286 582 I HA -0.264 3.906 4.170 -0.001 0.000 0.245 582 I C 2.301 178.382 176.117 -0.060 0.000 1.104 582 I CA 0.795 62.047 61.300 -0.081 0.000 1.397 582 I CB -0.392 37.580 38.000 -0.047 0.000 1.072 582 I HN 0.138 nan 8.210 nan 0.000 0.417 583 K N 1.244 121.616 120.400 -0.046 0.000 2.097 583 K HA -0.202 4.117 4.320 -0.001 0.000 0.206 583 K C 1.773 178.351 176.600 -0.037 0.000 1.049 583 K CA 1.576 57.842 56.287 -0.035 0.000 0.933 583 K CB -0.410 32.074 32.500 -0.027 0.000 0.717 583 K HN 0.585 nan 8.250 nan 0.000 0.442 584 E N -0.782 119.392 120.200 -0.043 0.000 2.482 584 E HA -0.013 4.336 4.350 -0.001 0.000 0.196 584 E C 0.713 177.288 176.600 -0.041 0.000 1.047 584 E CA 0.755 57.132 56.400 -0.038 0.000 0.869 584 E CB -0.066 29.612 29.700 -0.036 0.000 0.836 584 E HN 0.247 nan 8.360 nan 0.000 0.520 585 G N 1.839 110.608 108.800 -0.052 0.000 2.131 585 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.223 585 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.223 585 G C 0.747 175.609 174.900 -0.063 0.000 0.990 585 G CA 0.359 45.428 45.100 -0.052 0.000 0.671 585 G HN 0.324 nan 8.290 nan 0.000 0.521 586 K N -0.714 119.630 120.400 -0.093 0.000 2.116 586 K HA 0.380 4.700 4.320 -0.001 0.000 0.203 586 K C 0.727 177.224 176.600 -0.171 0.000 1.052 586 K CA 1.540 57.756 56.287 -0.118 0.000 0.952 586 K CB 0.156 32.554 32.500 -0.169 0.000 0.729 586 K HN 0.336 nan 8.250 nan 0.000 0.446 587 V N -0.417 119.377 119.914 -0.201 0.000 2.925 587 V HA 0.313 4.432 4.120 -0.001 0.000 0.311 587 V C 0.338 176.371 176.094 -0.101 0.000 1.104 587 V CA -0.587 61.612 62.300 -0.169 0.000 0.954 587 V CB 1.682 33.334 31.823 -0.285 0.000 1.022 587 V HN 0.115 nan 8.190 nan 0.000 0.427 588 A N 2.319 125.080 122.820 -0.098 0.000 1.968 588 A HA 0.214 4.534 4.320 -0.001 0.000 0.217 588 A C 0.577 178.128 177.584 -0.055 0.000 1.169 588 A CA 2.010 53.975 52.037 -0.120 0.000 0.638 588 A CB -0.349 18.491 19.000 -0.266 0.000 0.812 588 A HN 1.125 nan 8.150 nan 0.000 0.446 589 D N -5.154 115.254 120.400 0.014 0.000 2.769 589 D HA 0.189 4.828 4.640 -0.001 0.000 0.309 589 D C 0.378 176.760 176.300 0.136 0.000 1.315 589 D CA -0.625 53.416 54.000 0.068 0.000 0.780 589 D CB -0.317 40.533 40.800 0.084 0.000 1.312 589 D HN -0.174 nan 8.370 nan 0.000 0.437 590 M N -0.445 119.236 119.600 0.135 0.000 2.159 590 M HA -0.049 4.431 4.480 -0.001 0.000 0.263 590 M C 1.685 178.128 176.300 0.238 0.000 1.063 590 M CA 1.719 57.130 55.300 0.184 0.000 1.110 590 M CB -1.093 31.595 32.600 0.148 0.000 1.374 590 M HN 0.718 nan 8.290 nan 0.000 0.411 591 E N 0.056 120.384 120.200 0.213 0.000 2.160 591 E HA -0.200 4.149 4.350 -0.001 0.000 0.195 591 E C 1.383 178.080 176.600 0.162 0.000 0.991 591 E CA 1.557 58.066 56.400 0.182 0.000 0.810 591 E CB -0.194 29.597 29.700 0.151 0.000 0.742 591 E HN 0.552 nan 8.360 nan 0.000 0.466 592 H N -0.839 118.331 119.070 0.168 0.000 2.539 592 H HA 0.208 4.763 4.556 -0.001 0.000 0.267 592 H C 1.430 176.907 175.328 0.247 0.000 0.982 592 H CA 0.288 56.450 56.048 0.190 0.000 1.146 592 H CB 0.139 29.983 29.762 0.136 0.000 1.382 592 H HN 0.149 nan 8.280 nan 0.000 0.577 593 L N 0.584 122.010 121.223 0.337 0.000 2.042 593 L HA -0.120 4.219 4.340 -0.001 0.000 0.210 593 L C -0.481 176.624 176.870 0.391 0.000 1.076 593 L CA 1.203 56.232 54.840 0.315 0.000 0.749 593 L CB -1.073 41.100 42.059 0.191 0.000 0.893 593 L HN 0.290 nan 8.230 nan 0.000 0.432 594 P HA -0.146 nan 4.420 nan 0.000 0.216 594 P C 1.892 179.458 177.300 0.442 0.000 1.153 594 P CA 1.376 64.761 63.100 0.475 0.000 0.848 594 P CB 0.092 32.083 31.700 0.484 0.000 0.787 595 S N -1.748 114.177 115.700 0.375 0.000 2.348 595 S HA -0.209 4.261 4.470 -0.001 0.000 0.221 595 S C 1.960 176.741 174.600 0.302 0.000 1.033 595 S CA 1.051 59.461 58.200 0.349 0.000 1.010 595 S CB -1.196 62.173 63.200 0.280 0.000 0.891 595 S HN 0.121 nan 8.310 nan 0.000 0.442 596 Y N 0.890 121.315 120.300 0.209 0.000 2.114 596 Y HA -0.200 4.349 4.550 -0.001 0.000 0.282 596 Y C 1.928 177.899 175.900 0.118 0.000 1.165 596 Y CA 2.086 60.268 58.100 0.137 0.000 1.148 596 Y CB -0.870 37.670 38.460 0.133 0.000 0.972 596 Y HN 0.347 nan 8.280 nan 0.000 0.504 597 F N 0.922 120.780 119.950 -0.155 0.000 2.216 597 F HA -0.041 4.485 4.527 -0.001 0.000 0.300 597 F C 2.385 178.001 175.800 -0.308 0.000 1.085 597 F CA 1.706 59.531 58.000 -0.291 0.000 1.326 597 F CB -0.804 38.175 39.000 -0.035 0.000 1.027 597 F HN 0.151 nan 8.300 nan 0.000 0.497 598 G N -0.990 107.727 108.800 -0.138 0.000 2.421 598 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.217 598 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.217 598 G C 1.460 176.255 174.900 -0.176 0.000 1.143 598 G CA 0.489 45.353 45.100 -0.393 0.000 0.784 598 G HN 0.411 nan 8.290 nan 0.000 0.541 599 Q N 0.052 119.801 119.800 -0.085 0.000 2.079 599 Q HA -0.068 4.271 4.340 -0.001 0.000 0.200 599 Q C 2.429 178.269 176.000 -0.267 0.000 0.974 599 Q CA 1.056 56.779 55.803 -0.134 0.000 0.840 599 Q CB -0.077 28.511 28.738 -0.250 0.000 0.898 599 Q HN 0.367 nan 8.270 nan 0.000 0.430 600 E N 0.387 120.277 120.200 -0.517 0.000 2.072 600 E HA -0.126 4.223 4.350 -0.001 0.000 0.191 600 E C 2.236 178.533 176.600 -0.505 0.000 0.985 600 E CA 0.875 56.947 56.400 -0.547 0.000 0.801 600 E CB -0.182 29.062 29.700 -0.759 0.000 0.750 600 E HN 0.167 nan 8.360 nan 0.000 0.452 601 V N 2.185 121.692 119.914 -0.678 0.000 2.407 601 V HA -0.263 3.857 4.120 -0.001 0.000 0.248 601 V C 2.671 178.592 176.094 -0.289 0.000 1.055 601 V CA 1.989 63.971 62.300 -0.530 0.000 1.049 601 V CB -0.825 30.616 31.823 -0.637 0.000 0.662 601 V HN 0.333 nan 8.190 nan 0.000 0.455 602 S N -0.061 115.521 115.700 -0.196 0.000 2.399 602 S HA -0.255 4.215 4.470 -0.001 0.000 0.231 602 S C 1.937 176.504 174.600 -0.054 0.000 1.022 602 S CA 1.482 59.664 58.200 -0.030 0.000 0.983 602 S CB -0.426 62.870 63.200 0.160 0.000 0.803 602 S HN 0.630 nan 8.310 nan 0.000 0.480 603 K N 0.919 121.256 120.400 -0.105 0.000 2.097 603 K HA 0.112 4.431 4.320 -0.001 0.000 0.205 603 K C 2.146 178.690 176.600 -0.093 0.000 1.050 603 K CA 1.347 57.579 56.287 -0.092 0.000 0.938 603 K CB -0.434 32.000 32.500 -0.110 0.000 0.718 603 K HN 0.405 nan 8.250 nan 0.000 0.442 604 L N 0.514 121.663 121.223 -0.122 0.000 2.056 604 L HA -0.154 4.185 4.340 -0.001 0.000 0.207 604 L C 2.370 179.219 176.870 -0.036 0.000 1.078 604 L CA 0.693 55.488 54.840 -0.076 0.000 0.749 604 L CB -0.506 41.483 42.059 -0.117 0.000 0.901 604 L HN -0.046 nan 8.230 nan 0.000 0.433 605 V N 0.353 120.187 119.914 -0.133 0.000 2.287 605 V HA -0.320 3.799 4.120 -0.001 0.000 0.248 605 V C 2.624 178.704 176.094 -0.024 0.000 1.053 605 V CA 2.113 64.334 62.300 -0.131 0.000 1.027 605 V CB -0.489 31.292 31.823 -0.071 0.000 0.646 605 V HN 0.382 nan 8.190 nan 0.000 0.447 606 K N 1.022 121.409 120.400 -0.023 0.000 2.057 606 K HA -0.074 4.245 4.320 -0.001 0.000 0.207 606 K C 2.041 178.619 176.600 -0.037 0.000 1.049 606 K CA 1.737 58.015 56.287 -0.015 0.000 0.931 606 K CB -0.800 31.691 32.500 -0.015 0.000 0.714 606 K HN 0.378 nan 8.250 nan 0.000 0.440 607 A N 0.096 122.872 122.820 -0.073 0.000 2.024 607 A HA -0.168 4.151 4.320 -0.001 0.000 0.220 607 A C 1.385 178.819 177.584 -0.250 0.000 1.164 607 A CA 1.555 53.499 52.037 -0.156 0.000 0.643 607 A CB -0.737 18.144 19.000 -0.199 0.000 0.806 607 A HN 0.489 nan 8.150 nan 0.000 0.451 608 H N -1.238 117.776 119.070 -0.093 0.000 2.524 608 H HA 0.254 4.810 4.556 -0.001 0.000 0.280 608 H C 1.514 176.811 175.328 -0.051 0.000 1.018 608 H CA 0.496 56.492 56.048 -0.086 0.000 1.165 608 H CB -0.113 29.562 29.762 -0.145 0.000 1.411 608 H HN 0.625 nan 8.280 nan 0.000 0.569 609 G N 1.594 110.407 108.800 0.021 0.000 2.160 609 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.251 609 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.251 609 G C 0.115 175.039 174.900 0.041 0.000 1.008 609 G CA 0.075 45.190 45.100 0.025 0.000 0.724 609 G HN 0.355 nan 8.290 nan 0.000 0.514 610 I N 0.049 120.646 120.570 0.045 0.000 2.354 610 I HA 0.346 4.516 4.170 -0.001 0.000 0.292 610 I C 0.352 176.497 176.117 0.047 0.000 0.989 610 I CA -0.594 60.739 61.300 0.056 0.000 1.188 610 I CB 1.692 39.740 38.000 0.080 0.000 1.342 610 I HN -0.009 nan 8.210 nan 0.000 0.457 611 D N 5.124 125.550 120.400 0.043 0.000 2.424 611 D HA 0.160 4.799 4.640 -0.001 0.000 0.220 611 D C 0.099 176.415 176.300 0.027 0.000 1.150 611 D CA 0.099 54.118 54.000 0.031 0.000 0.831 611 D CB 0.383 41.197 40.800 0.023 0.000 0.981 611 D HN 0.373 nan 8.370 nan 0.000 0.500 612 R N 0.170 120.694 120.500 0.040 0.000 2.604 612 R HA 0.484 4.824 4.340 -0.001 0.000 0.281 612 R C -1.554 174.777 176.300 0.051 0.000 1.020 612 R CA -0.672 55.440 56.100 0.020 0.000 0.899 612 R CB 1.504 31.805 30.300 0.002 0.000 1.205 612 R HN 0.065 nan 8.270 nan 0.000 0.450 613 M N 2.752 122.363 119.600 0.018 0.000 2.591 613 M HA 0.400 4.880 4.480 -0.001 0.000 0.306 613 M C -1.538 174.709 176.300 -0.087 0.000 1.190 613 M CA -0.585 54.748 55.300 0.055 0.000 0.889 613 M CB 2.405 35.071 32.600 0.109 0.000 1.728 613 M HN 0.752 nan 8.290 nan 0.000 0.458 614 Q N 1.961 121.636 119.800 -0.209 0.000 2.456 614 Q HA 0.880 5.219 4.340 -0.001 0.000 0.283 614 Q C -2.227 173.163 176.000 -1.017 0.000 1.084 614 Q CA -0.714 54.775 55.803 -0.523 0.000 0.801 614 Q CB 2.840 31.273 28.738 -0.510 0.000 1.434 614 Q HN 0.869 nan 8.270 nan 0.000 0.419 615 A N 1.304 123.523 122.820 -1.001 0.000 2.610 615 A HA 0.600 4.920 4.320 -0.001 0.000 0.291 615 A C -2.175 175.034 177.584 -0.625 0.000 1.086 615 A CA -0.775 50.632 52.037 -1.049 0.000 0.677 615 A CB 0.552 19.046 19.000 -0.843 0.000 1.278 615 A HN 0.727 nan 8.150 nan 0.000 0.414 616 W N 1.437 122.664 121.300 -0.121 0.000 2.170 616 W HA 0.320 4.980 4.660 -0.001 0.000 0.336 616 W C 2.036 178.570 176.519 0.026 0.000 1.283 616 W CA 0.613 57.961 57.345 0.006 0.000 1.224 616 W CB 0.653 30.078 29.460 -0.058 0.000 1.132 616 W HN 0.944 nan 8.180 nan 0.000 0.571 617 Q N 0.206 120.155 119.800 0.248 0.000 2.133 617 Q HA -0.309 4.030 4.340 -0.001 0.000 0.208 617 Q C 1.014 177.129 176.000 0.191 0.000 0.991 617 Q CA 2.072 57.792 55.803 -0.139 0.000 0.867 617 Q CB -0.433 28.074 28.738 -0.386 0.000 0.911 617 Q HN 0.524 nan 8.270 nan 0.000 0.417 618 D N 1.129 121.741 120.400 0.352 0.000 2.190 618 D HA -0.129 4.510 4.640 -0.001 0.000 0.200 618 D C 1.937 178.448 176.300 0.352 0.000 0.992 618 D CA 1.624 55.826 54.000 0.336 0.000 0.854 618 D CB -0.401 40.600 40.800 0.336 0.000 0.936 618 D HN 0.589 nan 8.370 nan 0.000 0.462 619 G N -0.229 108.781 108.800 0.350 0.000 2.679 619 G HA2 -0.016 3.944 3.960 -0.001 0.000 0.212 619 G HA3 -0.016 3.944 3.960 -0.001 0.000 0.212 619 G C 1.400 176.594 174.900 0.490 0.000 1.137 619 G CA 0.133 45.486 45.100 0.422 0.000 0.787 619 G HN 0.265 nan 8.290 nan 0.000 0.534 620 L N -0.212 121.266 121.223 0.426 0.000 3.086 620 L HA 0.207 4.546 4.340 -0.001 0.000 0.274 620 L C 2.410 179.585 176.870 0.508 0.000 1.184 620 L CA -0.022 55.124 54.840 0.510 0.000 1.002 620 L CB 0.358 42.623 42.059 0.343 0.000 1.383 620 L HN 0.098 nan 8.230 nan 0.000 0.582 621 K N 0.047 120.741 120.400 0.490 0.000 2.103 621 K HA -0.190 4.129 4.320 -0.001 0.000 0.207 621 K C 0.483 177.180 176.600 0.162 0.000 1.048 621 K CA 1.902 58.383 56.287 0.322 0.000 0.930 621 K CB -0.145 32.546 32.500 0.319 0.000 0.716 621 K HN 0.143 nan 8.250 nan 0.000 0.444 622 D N 1.482 121.994 120.400 0.188 0.000 2.371 622 D HA 0.098 4.737 4.640 -0.001 0.000 0.221 622 D C 0.402 176.813 176.300 0.184 0.000 0.986 622 D CA 0.574 54.646 54.000 0.120 0.000 0.899 622 D CB 0.126 40.927 40.800 0.001 0.000 0.902 622 D HN 0.430 nan 8.370 nan 0.000 0.530 623 A N 0.648 123.625 122.820 0.262 0.000 2.351 623 A HA 0.077 4.397 4.320 -0.001 0.000 0.257 623 A C 1.554 179.253 177.584 0.193 0.000 1.087 623 A CA -0.349 51.837 52.037 0.248 0.000 0.798 623 A CB 0.713 19.970 19.000 0.429 0.000 1.033 623 A HN -0.016 nan 8.150 nan 0.000 0.488 624 E N 0.520 120.784 120.200 0.108 0.000 2.038 624 E HA -0.116 4.233 4.350 -0.001 0.000 0.195 624 E C 0.657 177.316 176.600 0.098 0.000 1.000 624 E CA 1.816 58.261 56.400 0.074 0.000 0.803 624 E CB 0.020 29.732 29.700 0.021 0.000 0.750 624 E HN 0.924 nan 8.360 nan 0.000 0.448 625 S N -2.364 113.414 115.700 0.131 0.000 2.671 625 S HA 0.072 4.542 4.470 -0.001 0.000 0.270 625 S C 0.767 175.386 174.600 0.032 0.000 1.166 625 S CA 0.016 58.270 58.200 0.090 0.000 0.868 625 S CB 0.382 63.572 63.200 -0.017 0.000 1.190 625 S HN 0.101 nan 8.310 nan 0.000 0.494 626 S N 0.602 116.097 115.700 -0.341 0.000 2.474 626 S HA -0.031 4.438 4.470 -0.001 0.000 0.235 626 S C 1.261 175.899 174.600 0.064 0.000 0.997 626 S CA 0.935 58.998 58.200 -0.228 0.000 0.949 626 S CB -0.780 62.157 63.200 -0.439 0.000 0.766 626 S HN 0.687 nan 8.310 nan 0.000 0.517 627 K N 1.476 121.867 120.400 -0.015 0.000 2.442 627 K HA 0.193 4.512 4.320 -0.001 0.000 0.198 627 K C 2.012 178.589 176.600 -0.038 0.000 1.042 627 K CA 0.780 57.059 56.287 -0.013 0.000 0.958 627 K CB -0.340 32.141 32.500 -0.031 0.000 0.766 627 K HN 0.520 nan 8.250 nan 0.000 0.474 628 A N 0.780 123.538 122.820 -0.104 0.000 2.206 628 A HA 0.052 4.372 4.320 -0.001 0.000 0.211 628 A C 0.198 177.454 177.584 -0.547 0.000 1.158 628 A CA 0.509 52.331 52.037 -0.359 0.000 0.761 628 A CB -0.177 18.517 19.000 -0.510 0.000 0.801 628 A HN 0.084 nan 8.150 nan 0.000 0.473 629 F N -2.554 117.404 119.950 0.013 0.000 2.492 629 F HA 0.575 5.102 4.527 -0.001 0.000 0.327 629 F C 1.330 177.121 175.800 -0.015 0.000 1.079 629 F CA -0.326 57.679 58.000 0.008 0.000 0.967 629 F CB 1.572 40.603 39.000 0.051 0.000 1.169 629 F HN -0.001 nan 8.300 nan 0.000 0.472 630 A N 0.293 123.199 122.820 0.144 0.000 1.930 630 A HA -0.016 4.304 4.320 -0.001 0.000 0.217 630 A C 1.204 178.825 177.584 0.061 0.000 1.175 630 A CA 1.292 53.365 52.037 0.059 0.000 0.627 630 A CB -1.249 17.762 19.000 0.017 0.000 0.815 630 A HN 0.759 nan 8.150 nan 0.000 0.443 631 T N -1.164 113.442 114.554 0.086 0.000 2.900 631 T HA 0.290 4.639 4.350 -0.001 0.000 0.307 631 T C 1.068 175.794 174.700 0.043 0.000 1.065 631 T CA 0.251 62.383 62.100 0.053 0.000 1.105 631 T CB 1.192 70.090 68.868 0.051 0.000 0.979 631 T HN 0.568 nan 8.240 nan 0.000 0.544 632 S N 1.282 116.992 115.700 0.017 0.000 2.522 632 S HA 0.104 4.573 4.470 -0.001 0.000 0.227 632 S C 0.636 175.224 174.600 -0.021 0.000 0.986 632 S CA -0.345 57.856 58.200 0.001 0.000 0.929 632 S CB -0.264 62.935 63.200 -0.002 0.000 0.769 632 S HN 0.751 nan 8.310 nan 0.000 0.529 633 R N -0.022 120.461 120.500 -0.027 0.000 2.621 633 R HA 0.698 5.038 4.340 -0.001 0.000 0.284 633 R C -1.981 174.274 176.300 -0.076 0.000 0.998 633 R CA -0.637 55.419 56.100 -0.073 0.000 0.895 633 R CB 2.523 32.763 30.300 -0.101 0.000 1.195 633 R HN 0.094 nan 8.270 nan 0.000 0.450 634 V N 1.592 121.448 119.914 -0.098 0.000 2.525 634 V HA 0.581 4.701 4.120 -0.001 0.000 0.299 634 V C 0.162 176.224 176.094 -0.053 0.000 1.034 634 V CA -0.806 61.444 62.300 -0.085 0.000 0.863 634 V CB 1.915 33.681 31.823 -0.095 0.000 0.999 634 V HN 0.954 nan 8.190 nan 0.000 0.423 635 G N 2.156 110.868 108.800 -0.147 0.000 2.434 635 G HA2 0.656 4.615 3.960 -0.001 0.000 0.330 635 G HA3 0.656 4.615 3.960 -0.001 0.000 0.330 635 G C -1.275 173.484 174.900 -0.234 0.000 1.155 635 G CA -0.699 44.279 45.100 -0.204 0.000 0.917 635 G HN 0.742 nan 8.290 nan 0.000 0.493 636 V N 0.704 120.470 119.914 -0.247 0.000 2.638 636 V HA 0.442 4.562 4.120 -0.001 0.000 0.306 636 V C -0.737 175.169 176.094 -0.312 0.000 1.052 636 V CA -1.140 60.942 62.300 -0.363 0.000 0.885 636 V CB 1.771 33.270 31.823 -0.541 0.000 0.999 636 V HN 0.746 nan 8.190 nan 0.000 0.424 637 N N 5.813 124.305 118.700 -0.347 0.000 2.508 637 N HA 0.264 5.003 4.740 -0.001 0.000 0.253 637 N C -0.773 174.807 175.510 0.117 0.000 1.145 637 N CA -0.235 52.678 53.050 -0.229 0.000 0.973 637 N CB 0.294 38.322 38.487 -0.765 0.000 1.305 637 N HN 0.634 nan 8.380 nan 0.000 0.506 638 F N 3.957 123.874 119.950 -0.055 0.000 2.533 638 F HA 0.089 4.616 4.527 -0.001 0.000 0.378 638 F C 0.426 176.385 175.800 0.265 0.000 1.070 638 F CA -0.539 57.447 58.000 -0.024 0.000 1.172 638 F CB 0.229 39.169 39.000 -0.100 0.000 1.085 638 F HN 0.523 nan 8.300 nan 0.000 0.552 639 W N 5.499 126.453 121.300 -0.577 0.000 1.887 639 W HA 0.339 4.998 4.660 -0.001 0.000 0.324 639 W C -1.072 175.162 176.519 -0.476 0.000 0.892 639 W CA -0.728 56.412 57.345 -0.341 0.000 2.330 639 W CB -0.837 28.675 29.460 0.088 0.000 1.197 639 W HN 0.226 nan 8.180 nan 0.000 0.547 640 D N 2.676 122.428 120.400 -1.079 0.000 2.339 640 D HA 0.173 4.813 4.640 -0.001 0.000 0.245 640 D C 0.958 177.007 176.300 -0.417 0.000 1.115 640 D CA 0.622 54.203 54.000 -0.698 0.000 0.917 640 D CB 1.904 42.363 40.800 -0.569 0.000 1.192 640 D HN -0.000 nan 8.370 nan 0.000 0.428 641 T N -1.233 113.130 114.554 -0.318 0.000 2.849 641 T HA 0.297 4.647 4.350 -0.001 0.000 0.284 641 T C 1.675 176.134 174.700 -0.403 0.000 1.004 641 T CA -0.714 61.108 62.100 -0.464 0.000 1.021 641 T CB 0.638 68.899 68.868 -1.011 0.000 1.013 641 T HN 0.239 nan 8.240 nan 0.000 0.527 642 L N 0.378 121.410 121.223 -0.318 0.000 2.131 642 L HA 0.039 4.378 4.340 -0.001 0.000 0.206 642 L C 2.423 179.173 176.870 -0.199 0.000 1.087 642 L CA 0.952 55.768 54.840 -0.039 0.000 0.767 642 L CB -0.700 41.518 42.059 0.266 0.000 0.917 642 L HN 0.876 nan 8.230 nan 0.000 0.441 643 Y N -3.488 116.475 120.300 -0.562 0.000 2.616 643 Y HA -0.052 4.497 4.550 -0.001 0.000 0.296 643 Y C 1.544 177.270 175.900 -0.291 0.000 1.154 643 Y CA -0.269 57.445 58.100 -0.643 0.000 1.325 643 Y CB -0.746 37.128 38.460 -0.975 0.000 1.007 643 Y HN 0.095 nan 8.280 nan 0.000 0.542 644 W N 1.094 122.162 121.300 -0.386 0.000 3.123 644 W HA 0.527 5.186 4.660 -0.002 0.000 0.383 644 W C 1.147 177.534 176.519 -0.220 0.000 1.102 644 W CA 0.046 57.258 57.345 -0.221 0.000 1.865 644 W CB 0.267 29.544 29.460 -0.306 0.000 1.111 644 W HN 0.365 nan 8.180 nan 0.000 0.621 645 G N -0.245 108.451 108.800 -0.172 0.000 2.148 645 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.203 645 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.203 645 G C 1.250 175.701 174.900 -0.748 0.000 0.993 645 G CA 0.027 44.722 45.100 -0.676 0.000 0.661 645 G HN 0.390 nan 8.290 nan 0.000 0.518 646 G N 0.931 109.511 108.800 -0.366 0.000 2.470 646 G HA2 0.129 4.088 3.960 -0.001 0.000 0.220 646 G HA3 0.129 4.088 3.960 -0.001 0.000 0.220 646 G C 1.482 176.361 174.900 -0.035 0.000 1.121 646 G CA 1.530 46.629 45.100 -0.002 0.000 0.766 646 G HN 1.093 nan 8.290 nan 0.000 0.553 647 F N 0.433 120.460 119.950 0.128 0.000 2.546 647 F HA 0.194 4.720 4.527 -0.001 0.000 0.298 647 F C 1.553 177.352 175.800 -0.001 0.000 1.120 647 F CA 0.802 58.833 58.000 0.051 0.000 1.456 647 F CB -0.296 38.770 39.000 0.110 0.000 1.088 647 F HN 0.221 nan 8.300 nan 0.000 0.572 648 D N 0.137 120.321 120.400 -0.360 0.000 2.470 648 D HA -0.020 4.619 4.640 -0.001 0.000 0.238 648 D C 2.101 178.348 176.300 -0.089 0.000 1.054 648 D CA 0.887 54.827 54.000 -0.101 0.000 0.896 648 D CB 0.106 40.869 40.800 -0.062 0.000 1.118 648 D HN 0.159 nan 8.370 nan 0.000 0.497 649 S N -0.374 115.281 115.700 -0.075 0.000 2.453 649 S HA -0.073 4.397 4.470 -0.001 0.000 0.231 649 S C 2.051 176.712 174.600 0.101 0.000 1.005 649 S CA 0.573 58.820 58.200 0.078 0.000 0.949 649 S CB -0.157 63.172 63.200 0.215 0.000 0.774 649 S HN 0.145 nan 8.310 nan 0.000 0.510 650 V N 2.837 122.625 119.914 -0.209 0.000 2.407 650 V HA -0.229 3.891 4.120 -0.001 0.000 0.248 650 V C 1.956 177.959 176.094 -0.151 0.000 1.055 650 V CA 2.383 64.270 62.300 -0.687 0.000 1.049 650 V CB -1.176 29.982 31.823 -1.110 0.000 0.662 650 V HN 0.474 nan 8.190 nan 0.000 0.455 651 N N 0.868 119.485 118.700 -0.138 0.000 2.018 651 N HA -0.202 4.537 4.740 -0.001 0.000 0.196 651 N C 1.513 177.129 175.510 0.177 0.000 1.043 651 N CA 2.087 55.213 53.050 0.127 0.000 0.856 651 N CB -0.605 37.916 38.487 0.058 0.000 1.042 651 N HN 0.534 nan 8.380 nan 0.000 0.423 652 D N -0.541 119.895 120.400 0.061 0.000 2.203 652 D HA -0.197 4.442 4.640 -0.001 0.000 0.199 652 D C 1.626 177.918 176.300 -0.014 0.000 0.997 652 D CA 0.946 54.934 54.000 -0.021 0.000 0.863 652 D CB -0.366 40.347 40.800 -0.145 0.000 0.928 652 D HN 0.464 nan 8.370 nan 0.000 0.458 653 W N 1.419 122.778 121.300 0.098 0.000 2.409 653 W HA 0.018 4.677 4.660 -0.001 0.000 0.299 653 W C 2.798 179.457 176.519 0.234 0.000 1.203 653 W CA 1.003 58.449 57.345 0.169 0.000 1.298 653 W CB -0.477 29.011 29.460 0.047 0.000 1.127 653 W HN -0.069 nan 8.180 nan 0.000 0.528 654 A N 0.579 123.619 122.820 0.366 0.000 1.898 654 A HA -0.192 4.127 4.320 -0.001 0.000 0.216 654 A C 1.781 179.425 177.584 0.100 0.000 1.181 654 A CA 1.724 53.865 52.037 0.172 0.000 0.620 654 A CB -0.905 18.082 19.000 -0.021 0.000 0.819 654 A HN 0.283 nan 8.150 nan 0.000 0.442 655 N N -0.001 118.765 118.700 0.110 0.000 2.443 655 N HA -0.082 4.657 4.740 -0.001 0.000 0.184 655 N C 0.818 176.351 175.510 0.038 0.000 1.037 655 N CA 0.797 53.879 53.050 0.053 0.000 0.896 655 N CB -0.064 38.459 38.487 0.059 0.000 0.959 655 N HN 0.294 nan 8.380 nan 0.000 0.442 656 K N -0.147 120.300 120.400 0.078 0.000 2.417 656 K HA 0.167 4.486 4.320 -0.001 0.000 0.196 656 K C 0.944 177.477 176.600 -0.111 0.000 1.023 656 K CA 0.022 56.331 56.287 0.037 0.000 1.122 656 K CB 0.278 32.863 32.500 0.143 0.000 0.850 656 K HN 0.254 nan 8.250 nan 0.000 0.521 657 G N 0.818 109.578 108.800 -0.067 0.000 2.175 657 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.244 657 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.244 657 G C -0.178 174.601 174.900 -0.201 0.000 0.982 657 G CA -0.154 44.854 45.100 -0.153 0.000 0.641 657 G HN 0.235 nan 8.290 nan 0.000 0.527 658 Y N 1.105 121.454 120.300 0.082 0.000 2.301 658 Y HA 0.503 5.052 4.550 -0.001 0.000 0.328 658 Y C 1.064 176.949 175.900 -0.026 0.000 1.242 658 Y CA -0.356 57.781 58.100 0.061 0.000 1.323 658 Y CB 0.638 39.240 38.460 0.236 0.000 1.266 658 Y HN 0.188 nan 8.280 nan 0.000 0.527 659 E N 1.403 121.612 120.200 0.015 0.000 2.130 659 E HA 0.283 4.633 4.350 -0.001 0.000 0.284 659 E C -1.147 175.412 176.600 -0.068 0.000 1.018 659 E CA -0.531 55.786 56.400 -0.138 0.000 0.817 659 E CB 1.076 30.445 29.700 -0.552 0.000 1.078 659 E HN 0.265 nan 8.360 nan 0.000 0.396 660 V N 4.579 124.496 119.914 0.005 0.000 2.427 660 V HA 0.033 4.153 4.120 -0.001 0.000 0.268 660 V C 0.072 176.122 176.094 -0.073 0.000 1.046 660 V CA -0.361 61.936 62.300 -0.005 0.000 0.970 660 V CB 1.064 32.941 31.823 0.091 0.000 1.001 660 V HN 0.426 nan 8.190 nan 0.000 0.476 661 V N 6.806 126.632 119.914 -0.146 0.000 2.318 661 V HA 0.209 4.328 4.120 -0.001 0.000 0.271 661 V C 0.258 176.327 176.094 -0.042 0.000 1.030 661 V CA -0.500 61.655 62.300 -0.241 0.000 0.844 661 V CB 1.501 33.038 31.823 -0.477 0.000 1.015 661 V HN 0.623 nan 8.190 nan 0.000 0.460 662 V N 5.133 125.046 119.914 -0.002 0.000 2.485 662 V HA 0.117 4.236 4.120 -0.001 0.000 0.287 662 V C 0.931 177.170 176.094 0.242 0.000 1.022 662 V CA 0.652 63.070 62.300 0.197 0.000 1.067 662 V CB 1.049 32.978 31.823 0.177 0.000 0.967 662 V HN 0.999 nan 8.190 nan 0.000 0.479 663 S N 3.166 119.053 115.700 0.311 0.000 3.021 663 S HA 0.195 4.664 4.470 -0.001 0.000 0.252 663 S C 0.149 174.938 174.600 0.315 0.000 0.996 663 S CA -0.737 57.652 58.200 0.316 0.000 1.084 663 S CB -0.131 63.288 63.200 0.364 0.000 1.021 663 S HN 0.847 nan 8.310 nan 0.000 0.566 664 N N 4.309 123.139 118.700 0.216 0.000 2.365 664 N HA 0.047 4.787 4.740 -0.001 0.000 0.265 664 N C -1.466 173.951 175.510 -0.156 0.000 1.288 664 N CA -0.953 52.120 53.050 0.038 0.000 0.869 664 N CB 0.512 39.057 38.487 0.096 0.000 1.071 664 N HN 0.191 nan 8.380 nan 0.000 0.480 665 P HA -0.118 nan 4.420 nan 0.000 0.223 665 P C 0.049 177.013 177.300 -0.560 0.000 1.151 665 P CA 0.999 63.496 63.100 -1.005 0.000 0.787 665 P CB 0.242 31.069 31.700 -1.455 0.000 0.788 666 D N -1.961 118.169 120.400 -0.450 0.000 2.363 666 D HA -0.126 4.513 4.640 -0.001 0.000 0.226 666 D C 0.974 176.699 176.300 -0.959 0.000 1.020 666 D CA 0.742 54.394 54.000 -0.580 0.000 0.892 666 D CB -0.713 39.736 40.800 -0.584 0.000 0.900 666 D HN 0.282 nan 8.370 nan 0.000 0.531 667 Y N -0.666 119.365 120.300 -0.448 0.000 2.619 667 Y HA 0.111 4.660 4.550 -0.001 0.000 0.273 667 Y C 1.688 177.370 175.900 -0.363 0.000 1.175 667 Y CA -0.019 57.770 58.100 -0.518 0.000 1.157 667 Y CB 0.868 38.653 38.460 -1.124 0.000 1.329 667 Y HN -0.005 nan 8.280 nan 0.000 0.503 668 V N -3.184 116.648 119.914 -0.138 0.000 3.085 668 V HA 0.369 4.488 4.120 -0.001 0.000 0.345 668 V C -0.960 175.141 176.094 0.010 0.000 1.397 668 V CA -0.439 61.840 62.300 -0.034 0.000 1.165 668 V CB -0.957 30.900 31.823 0.058 0.000 1.153 668 V HN 0.044 nan 8.190 nan 0.000 0.495 669 Y N 1.383 121.440 120.300 -0.405 0.000 2.477 669 Y HA 0.541 5.090 4.550 -0.001 0.000 0.349 669 Y C 1.309 176.915 175.900 -0.491 0.000 0.977 669 Y CA -1.075 56.674 58.100 -0.586 0.000 1.214 669 Y CB 1.538 39.246 38.460 -1.253 0.000 1.124 669 Y HN 0.251 nan 8.280 nan 0.000 0.521 670 M N 1.711 121.174 119.600 -0.229 0.000 2.628 670 M HA -0.029 4.451 4.480 -0.001 0.000 0.232 670 M C 0.737 176.996 176.300 -0.069 0.000 1.128 670 M CA 0.473 55.675 55.300 -0.163 0.000 1.040 670 M CB 0.075 32.577 32.600 -0.163 0.000 1.608 670 M HN 0.528 nan 8.290 nan 0.000 0.507 671 D N 0.010 120.376 120.400 -0.056 0.000 2.339 671 D HA 0.006 4.645 4.640 -0.001 0.000 0.217 671 D C 0.237 176.752 176.300 0.358 0.000 1.050 671 D CA 0.161 54.231 54.000 0.118 0.000 0.856 671 D CB 0.061 40.946 40.800 0.141 0.000 0.922 671 D HN 0.097 nan 8.370 nan 0.000 0.518 672 F N 1.348 121.331 119.950 0.055 0.000 2.380 672 F HA 0.454 4.981 4.527 -0.001 0.000 0.321 672 F C -1.952 173.853 175.800 0.008 0.000 1.103 672 F CA -3.462 54.549 58.000 0.018 0.000 1.067 672 F CB -0.054 38.914 39.000 -0.053 0.000 1.265 672 F HN -0.300 nan 8.300 nan 0.000 0.517 673 P HA 0.088 nan 4.420 nan 0.000 0.271 673 P C -0.010 177.459 177.300 0.281 0.000 1.218 673 P CA 0.128 63.333 63.100 0.175 0.000 0.780 673 P CB 0.458 32.155 31.700 -0.005 0.000 0.901 674 Y N 0.632 121.048 120.300 0.194 0.000 2.373 674 Y HA -0.046 4.503 4.550 -0.001 0.000 0.293 674 Y C 1.307 177.348 175.900 0.235 0.000 1.129 674 Y CA 1.119 59.333 58.100 0.190 0.000 1.226 674 Y CB 0.235 38.760 38.460 0.109 0.000 1.000 674 Y HN 0.430 nan 8.280 nan 0.000 0.549 675 E N -2.123 118.275 120.200 0.331 0.000 2.412 675 E HA 0.419 4.768 4.350 -0.001 0.000 0.279 675 E C -1.608 175.048 176.600 0.094 0.000 0.984 675 E CA -0.918 55.517 56.400 0.059 0.000 0.788 675 E CB 1.472 31.154 29.700 -0.030 0.000 1.277 675 E HN -0.282 nan 8.360 nan 0.000 0.455 676 V N 2.807 122.624 119.914 -0.161 0.000 2.326 676 V HA 0.261 4.380 4.120 -0.001 0.000 0.249 676 V C -0.186 175.770 176.094 -0.229 0.000 1.114 676 V CA -0.103 62.136 62.300 -0.101 0.000 1.028 676 V CB -0.798 30.884 31.823 -0.236 0.000 1.170 676 V HN 0.628 nan 8.190 nan 0.000 0.494 677 N N 6.547 125.181 118.700 -0.110 0.000 2.452 677 N HA 0.307 5.046 4.740 -0.001 0.000 0.277 677 N C -2.649 172.739 175.510 -0.202 0.000 1.078 677 N CA -1.266 51.672 53.050 -0.186 0.000 0.947 677 N CB 3.388 41.832 38.487 -0.071 0.000 1.655 677 N HN 0.063 nan 8.380 nan 0.000 0.490 678 P HA 0.097 nan 4.420 nan 0.000 0.239 678 P C -0.051 177.124 177.300 -0.209 0.000 1.184 678 P CA 0.806 63.613 63.100 -0.489 0.000 0.760 678 P CB 0.371 31.663 31.700 -0.680 0.000 0.884 679 D N -1.012 119.354 120.400 -0.058 0.000 2.349 679 D HA 0.044 4.683 4.640 -0.001 0.000 0.214 679 D C 0.670 177.030 176.300 0.100 0.000 1.063 679 D CA 0.408 54.412 54.000 0.005 0.000 0.847 679 D CB 0.270 41.068 40.800 -0.003 0.000 0.933 679 D HN 0.166 nan 8.370 nan 0.000 0.513 680 E N 0.793 121.129 120.200 0.227 0.000 2.318 680 E HA 0.252 4.602 4.350 -0.001 0.000 0.265 680 E C 0.176 176.905 176.600 0.215 0.000 1.069 680 E CA -0.413 56.140 56.400 0.255 0.000 0.893 680 E CB 1.848 31.748 29.700 0.334 0.000 1.076 680 E HN -0.004 nan 8.360 nan 0.000 0.414 681 R N -0.143 120.457 120.500 0.166 0.000 2.404 681 R HA 0.537 4.876 4.340 -0.001 0.000 0.291 681 R C -0.256 176.113 176.300 0.116 0.000 1.025 681 R CA 0.113 56.286 56.100 0.122 0.000 0.991 681 R CB 0.747 31.092 30.300 0.075 0.000 1.053 681 R HN 0.645 nan 8.270 nan 0.000 0.479 682 G N 1.989 110.850 108.800 0.103 0.000 2.316 682 G HA2 -0.020 3.939 3.960 -0.001 0.000 0.468 682 G HA3 -0.020 3.939 3.960 -0.001 0.000 0.468 682 G C -1.847 173.221 174.900 0.279 0.000 1.523 682 G CA -0.896 44.303 45.100 0.165 0.000 0.972 682 G HN 0.329 nan 8.290 nan 0.000 0.667 683 Y N -0.081 120.339 120.300 0.200 0.000 2.281 683 Y HA 0.537 5.086 4.550 -0.001 0.000 0.337 683 Y C 1.291 177.087 175.900 -0.174 0.000 1.304 683 Y CA 0.109 58.284 58.100 0.125 0.000 1.465 683 Y CB 0.817 39.434 38.460 0.261 0.000 1.350 683 Y HN 0.837 nan 8.280 nan 0.000 0.575 684 Y N -1.943 118.133 120.300 -0.373 0.000 2.990 684 Y HA 0.156 4.705 4.550 -0.001 0.000 0.240 684 Y C 0.574 176.106 175.900 -0.613 0.000 1.060 684 Y CA -1.513 56.097 58.100 -0.817 0.000 1.167 684 Y CB -1.177 37.095 38.460 -0.313 0.000 1.242 684 Y HN 0.674 nan 8.280 nan 0.000 0.650 685 W N 0.376 121.268 121.300 -0.679 0.000 2.467 685 W HA 0.312 4.971 4.660 -0.002 0.000 0.275 685 W C 0.955 177.437 176.519 -0.061 0.000 1.239 685 W CA 1.242 58.428 57.345 -0.264 0.000 1.266 685 W CB -0.856 28.500 29.460 -0.173 0.000 1.112 685 W HN 0.335 nan 8.180 nan 0.000 0.576 686 G N 0.045 108.181 108.800 -1.106 0.000 2.595 686 G HA2 0.171 4.130 3.960 -0.001 0.000 0.213 686 G HA3 0.171 4.130 3.960 -0.001 0.000 0.213 686 G C 0.117 174.814 174.900 -0.338 0.000 1.141 686 G CA 1.183 45.864 45.100 -0.699 0.000 0.806 686 G HN 0.220 nan 8.290 nan 0.000 0.530 687 T N -2.103 112.177 114.554 -0.457 0.000 2.775 687 T HA 0.379 4.728 4.350 -0.001 0.000 0.320 687 T C 0.078 174.634 174.700 -0.240 0.000 1.597 687 T CA -0.585 61.329 62.100 -0.310 0.000 1.022 687 T CB 1.727 70.398 68.868 -0.328 0.000 1.485 687 T HN -0.037 nan 8.240 nan 0.000 0.494 688 R N 0.767 121.216 120.500 -0.085 0.000 2.200 688 R HA 0.422 4.761 4.340 -0.001 0.000 0.208 688 R C 0.012 176.474 176.300 0.270 0.000 1.033 688 R CA 0.973 57.153 56.100 0.135 0.000 1.000 688 R CB -0.162 30.261 30.300 0.205 0.000 0.906 688 R HN 0.533 nan 8.270 nan 0.000 0.462 689 F N -4.123 115.812 119.950 -0.025 0.000 2.725 689 F HA 0.527 5.054 4.527 -0.001 0.000 0.309 689 F C -1.353 174.423 175.800 -0.041 0.000 1.132 689 F CA -1.294 56.711 58.000 0.009 0.000 0.957 689 F CB 1.016 40.039 39.000 0.039 0.000 1.286 689 F HN -0.281 nan 8.300 nan 0.000 0.440 690 S N 2.170 117.820 115.700 -0.083 0.000 2.721 690 S HA 0.455 4.925 4.470 -0.001 0.000 0.264 690 S C -1.443 173.105 174.600 -0.087 0.000 1.161 690 S CA -0.615 57.434 58.200 -0.252 0.000 1.113 690 S CB 0.091 63.143 63.200 -0.247 0.000 1.079 690 S HN 0.889 nan 8.310 nan 0.000 0.479 691 D N 3.058 123.505 120.400 0.078 0.000 2.506 691 D HA 0.359 4.998 4.640 -0.001 0.000 0.272 691 D C 1.076 177.375 176.300 -0.000 0.000 1.214 691 D CA -0.555 53.511 54.000 0.110 0.000 1.067 691 D CB 0.228 41.189 40.800 0.269 0.000 1.117 691 D HN 0.353 nan 8.370 nan 0.000 0.578 692 E N -0.612 119.652 120.200 0.107 0.000 2.097 692 E HA -0.220 4.129 4.350 -0.001 0.000 0.196 692 E C 2.000 178.433 176.600 -0.279 0.000 1.000 692 E CA 1.619 58.092 56.400 0.121 0.000 0.804 692 E CB -0.173 29.794 29.700 0.446 0.000 0.740 692 E HN 0.503 nan 8.360 nan 0.000 0.454 693 R N 1.019 121.128 120.500 -0.650 0.000 2.083 693 R HA -0.189 4.150 4.340 -0.001 0.000 0.237 693 R C 2.240 178.191 176.300 -0.581 0.000 1.137 693 R CA 1.892 57.161 56.100 -1.385 0.000 0.951 693 R CB -0.098 29.571 30.300 -1.052 0.000 0.851 693 R HN 0.059 nan 8.270 nan 0.000 0.434 694 K N -0.009 120.243 120.400 -0.246 0.000 2.057 694 K HA -0.100 4.220 4.320 -0.001 0.000 0.207 694 K C 1.923 178.551 176.600 0.047 0.000 1.049 694 K CA 1.583 57.820 56.287 -0.084 0.000 0.931 694 K CB 0.023 32.432 32.500 -0.151 0.000 0.714 694 K HN 0.093 nan 8.250 nan 0.000 0.440 695 V N 1.115 121.043 119.914 0.023 0.000 2.287 695 V HA -0.245 3.874 4.120 -0.001 0.000 0.248 695 V C 2.087 178.311 176.094 0.217 0.000 1.053 695 V CA 1.989 64.361 62.300 0.119 0.000 1.027 695 V CB -0.609 31.261 31.823 0.078 0.000 0.646 695 V HN 0.359 nan 8.190 nan 0.000 0.447 696 F N 1.406 121.341 119.950 -0.025 0.000 2.171 696 F HA -0.156 4.371 4.527 -0.001 0.000 0.300 696 F C 2.383 178.269 175.800 0.144 0.000 1.090 696 F CA 1.771 59.789 58.000 0.031 0.000 1.293 696 F CB -0.216 38.765 39.000 -0.032 0.000 1.013 696 F HN 0.102 nan 8.300 nan 0.000 0.486 697 S N -0.064 115.799 115.700 0.271 0.000 2.561 697 S HA -0.048 4.421 4.470 -0.001 0.000 0.225 697 S C 0.355 175.108 174.600 0.255 0.000 0.977 697 S CA -0.221 58.065 58.200 0.143 0.000 0.926 697 S CB -0.766 62.430 63.200 -0.007 0.000 0.769 697 S HN 0.282 nan 8.310 nan 0.000 0.533 698 F N 3.374 123.363 119.950 0.065 0.000 2.543 698 F HA 0.418 4.944 4.527 -0.001 0.000 0.375 698 F C 0.335 176.122 175.800 -0.021 0.000 1.075 698 F CA -1.700 56.238 58.000 -0.103 0.000 1.225 698 F CB 0.094 38.989 39.000 -0.175 0.000 1.099 698 F HN -0.004 nan 8.300 nan 0.000 0.561 699 A N 9.459 132.025 122.820 -0.425 0.000 2.412 699 A HA 0.435 4.754 4.320 -0.001 0.000 0.334 699 A C -1.903 175.206 177.584 -0.791 0.000 1.419 699 A CA -1.294 50.470 52.037 -0.454 0.000 0.930 699 A CB -0.132 18.748 19.000 -0.200 0.000 1.149 699 A HN 0.615 nan 8.150 nan 0.000 0.515 700 P HA -0.096 nan 4.420 nan 0.000 0.223 700 P C 0.264 177.461 177.300 -0.171 0.000 1.151 700 P CA 1.131 63.807 63.100 -0.707 0.000 0.787 700 P CB 0.451 31.959 31.700 -0.319 0.000 0.788 701 D N -1.119 119.267 120.400 -0.024 0.000 2.363 701 D HA 0.036 4.675 4.640 -0.001 0.000 0.214 701 D C 0.059 176.489 176.300 0.215 0.000 1.093 701 D CA 0.210 54.356 54.000 0.244 0.000 0.837 701 D CB -0.465 40.482 40.800 0.244 0.000 0.948 701 D HN -0.043 nan 8.370 nan 0.000 0.507 702 N N 0.369 119.062 118.700 -0.012 0.000 2.697 702 N HA 0.120 4.859 4.740 -0.001 0.000 0.253 702 N C 0.862 176.307 175.510 -0.108 0.000 1.604 702 N CA -0.051 53.009 53.050 0.016 0.000 0.772 702 N CB 0.067 38.573 38.487 0.031 0.000 1.267 702 N HN -0.105 nan 8.380 nan 0.000 0.510 703 M N 0.118 119.622 119.600 -0.160 0.000 2.143 703 M HA -0.103 4.376 4.480 -0.001 0.000 0.258 703 M C -0.815 175.490 176.300 0.009 0.000 1.071 703 M CA 1.983 57.239 55.300 -0.074 0.000 1.088 703 M CB -0.985 31.591 32.600 -0.040 0.000 1.360 703 M HN 0.230 nan 8.290 nan 0.000 0.404 704 P HA -0.202 nan 4.420 nan 0.000 0.218 704 P C 1.124 178.142 177.300 -0.470 0.000 1.148 704 P CA 1.225 64.272 63.100 -0.089 0.000 0.822 704 P CB -0.385 31.344 31.700 0.048 0.000 0.784 705 Q N -0.397 118.931 119.800 -0.786 0.000 2.364 705 Q HA -0.139 4.200 4.340 -0.001 0.000 0.209 705 Q C 1.555 177.224 176.000 -0.552 0.000 0.977 705 Q CA 1.133 56.151 55.803 -1.308 0.000 0.885 705 Q CB -0.881 27.343 28.738 -0.856 0.000 0.941 705 Q HN 0.236 nan 8.270 nan 0.000 0.464 706 N N 0.985 119.536 118.700 -0.248 0.000 2.364 706 N HA -0.114 4.625 4.740 -0.001 0.000 0.183 706 N C 1.626 177.076 175.510 -0.100 0.000 1.022 706 N CA 1.087 54.121 53.050 -0.026 0.000 0.883 706 N CB -0.101 38.473 38.487 0.145 0.000 0.965 706 N HN 0.471 nan 8.380 nan 0.000 0.438 707 A N 1.386 124.007 122.820 -0.333 0.000 2.024 707 A HA -0.154 4.165 4.320 -0.001 0.000 0.220 707 A C 1.916 179.239 177.584 -0.435 0.000 1.164 707 A CA 1.264 52.830 52.037 -0.785 0.000 0.643 707 A CB -0.256 18.411 19.000 -0.556 0.000 0.806 707 A HN 0.322 nan 8.150 nan 0.000 0.451 708 E N -1.133 118.947 120.200 -0.200 0.000 2.474 708 E HA -0.017 4.332 4.350 -0.001 0.000 0.194 708 E C 1.069 177.635 176.600 -0.058 0.000 1.041 708 E CA 0.933 57.276 56.400 -0.094 0.000 0.874 708 E CB 0.141 29.858 29.700 0.029 0.000 0.914 708 E HN 0.782 nan 8.360 nan 0.000 0.498 709 T N -2.328 112.195 114.554 -0.052 0.000 3.091 709 T HA 0.173 4.523 4.350 -0.001 0.000 0.277 709 T C 0.316 175.048 174.700 0.054 0.000 0.996 709 T CA -0.300 61.798 62.100 -0.003 0.000 0.897 709 T CB 0.443 69.307 68.868 -0.007 0.000 1.109 709 T HN 0.034 nan 8.240 nan 0.000 0.534 710 S N 0.366 116.111 115.700 0.075 0.000 2.625 710 S HA 0.812 5.281 4.470 -0.001 0.000 0.271 710 S C -0.839 173.856 174.600 0.159 0.000 1.161 710 S CA -0.411 57.882 58.200 0.155 0.000 0.820 710 S CB 1.650 65.066 63.200 0.360 0.000 1.137 710 S HN 0.837 nan 8.310 nan 0.000 0.470 711 V N -1.033 118.966 119.914 0.141 0.000 3.113 711 V HA 0.841 4.960 4.120 -0.001 0.000 0.316 711 V C -0.294 175.864 176.094 0.106 0.000 1.125 711 V CA -0.804 61.580 62.300 0.141 0.000 1.026 711 V CB 1.135 32.946 31.823 -0.020 0.000 1.080 711 V HN 1.115 nan 8.190 nan 0.000 0.444 712 D N 1.282 121.683 120.400 0.002 0.000 2.440 712 D HA 0.148 4.787 4.640 -0.001 0.000 0.269 712 D C 1.310 177.281 176.300 -0.549 0.000 1.249 712 D CA 0.043 53.776 54.000 -0.445 0.000 1.055 712 D CB 0.330 40.705 40.800 -0.709 0.000 1.104 712 D HN 0.762 nan 8.370 nan 0.000 0.561 713 R N -1.160 118.754 120.500 -0.976 0.000 2.193 713 R HA -0.086 4.253 4.340 -0.001 0.000 0.229 713 R C -0.025 176.073 176.300 -0.336 0.000 1.110 713 R CA 1.299 57.050 56.100 -0.582 0.000 0.988 713 R CB -0.334 29.594 30.300 -0.620 0.000 0.871 713 R HN 0.237 nan 8.270 nan 0.000 0.458 714 D N -0.301 119.889 120.400 -0.349 0.000 2.424 714 D HA 0.178 4.817 4.640 -0.001 0.000 0.220 714 D C 0.577 176.802 176.300 -0.124 0.000 1.150 714 D CA 0.655 54.535 54.000 -0.200 0.000 0.831 714 D CB 0.976 41.651 40.800 -0.207 0.000 0.981 714 D HN 0.488 nan 8.370 nan 0.000 0.500 715 G N 1.021 109.749 108.800 -0.120 0.000 2.148 715 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.254 715 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.254 715 G C 0.243 175.068 174.900 -0.125 0.000 0.981 715 G CA -0.148 44.911 45.100 -0.068 0.000 0.670 715 G HN 0.378 nan 8.290 nan 0.000 0.528 716 N N 0.219 118.840 118.700 -0.132 0.000 2.495 716 N HA 0.498 5.237 4.740 -0.001 0.000 0.280 716 N C 0.257 175.727 175.510 -0.066 0.000 1.168 716 N CA -0.850 52.126 53.050 -0.124 0.000 0.978 716 N CB 0.512 38.961 38.487 -0.062 0.000 1.191 716 N HN 0.237 nan 8.380 nan 0.000 0.497 717 H N 0.764 119.860 119.070 0.044 0.000 2.690 717 H HA 0.177 4.732 4.556 -0.001 0.000 0.365 717 H C -0.427 174.979 175.328 0.129 0.000 1.142 717 H CA 0.319 56.382 56.048 0.026 0.000 1.417 717 H CB 0.384 30.124 29.762 -0.036 0.000 1.446 717 H HN 0.456 nan 8.280 nan 0.000 0.599 718 F N -0.472 119.555 119.950 0.128 0.000 2.640 718 F HA 0.501 5.027 4.527 -0.001 0.000 0.324 718 F C -0.630 175.202 175.800 0.053 0.000 1.077 718 F CA -1.320 56.731 58.000 0.085 0.000 0.965 718 F CB 1.043 40.102 39.000 0.100 0.000 1.351 718 F HN 0.209 nan 8.300 nan 0.000 0.487 719 N N 0.471 119.288 118.700 0.195 0.000 2.335 719 N HA 0.796 5.535 4.740 -0.001 0.000 0.304 719 N C -1.535 173.906 175.510 -0.114 0.000 1.135 719 N CA -0.677 52.375 53.050 0.003 0.000 0.817 719 N CB 2.033 40.538 38.487 0.031 0.000 1.294 719 N HN 1.052 nan 8.380 nan 0.000 0.497 720 A N 0.608 123.233 122.820 -0.324 0.000 2.547 720 A HA 0.682 5.001 4.320 -0.001 0.000 0.297 720 A C -1.124 176.189 177.584 -0.452 0.000 1.056 720 A CA -0.712 50.745 52.037 -0.966 0.000 0.688 720 A CB 1.614 20.025 19.000 -0.982 0.000 1.282 720 A HN 0.693 nan 8.150 nan 0.000 0.400 721 K N 0.583 120.740 120.400 -0.405 0.000 2.572 721 K HA 0.673 4.992 4.320 -0.001 0.000 0.263 721 K C -1.802 174.940 176.600 0.235 0.000 0.932 721 K CA -0.210 56.071 56.287 -0.011 0.000 0.838 721 K CB 1.911 34.406 32.500 -0.007 0.000 1.366 721 K HN 0.881 nan 8.250 nan 0.000 0.425 722 S N 1.420 117.250 115.700 0.216 0.000 2.536 722 S HA 0.348 4.817 4.470 -0.001 0.000 0.287 722 S C -0.714 174.001 174.600 0.190 0.000 1.101 722 S CA -0.626 57.744 58.200 0.282 0.000 0.950 722 S CB 1.565 64.999 63.200 0.388 0.000 1.056 722 S HN 0.686 nan 8.310 nan 0.000 0.481 723 D N 2.162 122.666 120.400 0.173 0.000 2.389 723 D HA 0.160 4.799 4.640 -0.001 0.000 0.206 723 D C -0.002 176.404 176.300 0.176 0.000 1.055 723 D CA 0.411 54.489 54.000 0.129 0.000 0.856 723 D CB 0.454 41.309 40.800 0.091 0.000 0.957 723 D HN 0.500 nan 8.370 nan 0.000 0.509 724 K N 1.649 122.180 120.400 0.217 0.000 2.138 724 K HA 0.272 4.592 4.320 -0.001 0.000 0.251 724 K C -2.432 174.333 176.600 0.275 0.000 1.015 724 K CA -1.431 54.975 56.287 0.199 0.000 0.917 724 K CB 0.054 32.643 32.500 0.148 0.000 1.021 724 K HN -0.123 nan 8.250 nan 0.000 0.485 725 P HA -0.048 nan 4.420 nan 0.000 0.271 725 P C -1.209 176.204 177.300 0.187 0.000 1.218 725 P CA -0.119 63.097 63.100 0.194 0.000 0.780 725 P CB 0.408 32.176 31.700 0.113 0.000 0.901 726 W N 5.956 127.157 121.300 -0.165 0.000 2.538 726 W HA 0.210 4.869 4.660 -0.001 0.000 0.291 726 W C -1.911 174.491 176.519 -0.196 0.000 1.020 726 W CA -2.161 54.973 57.345 -0.351 0.000 1.375 726 W CB 1.675 30.540 29.460 -0.991 0.000 1.247 726 W HN 0.386 nan 8.180 nan 0.000 0.377 727 P HA 0.068 nan 4.420 nan 0.000 0.222 727 P C 0.626 177.459 177.300 -0.779 0.000 1.147 727 P CA 1.442 64.244 63.100 -0.496 0.000 0.790 727 P CB 0.542 32.041 31.700 -0.335 0.000 0.780 728 G N -0.877 106.943 108.800 -1.633 0.000 2.465 728 G HA2 0.298 4.257 3.960 -0.001 0.000 0.681 728 G HA3 0.298 4.257 3.960 -0.001 0.000 0.681 728 G C -0.777 173.512 174.900 -1.019 0.000 1.340 728 G CA -0.545 43.777 45.100 -1.297 0.000 0.884 728 G HN 0.307 nan 8.290 nan 0.000 0.650 729 A N 0.170 122.769 122.820 -0.368 0.000 2.351 729 A HA 0.650 4.969 4.320 -0.001 0.000 0.257 729 A C 0.736 178.222 177.584 -0.163 0.000 1.087 729 A CA 0.704 52.665 52.037 -0.126 0.000 0.798 729 A CB 0.695 19.667 19.000 -0.047 0.000 1.033 729 A HN 1.834 nan 8.150 nan 0.000 0.488 730 Y N 1.084 121.202 120.300 -0.304 0.000 2.389 730 Y HA 0.405 4.954 4.550 -0.001 0.000 0.292 730 Y C 1.050 176.728 175.900 -0.369 0.000 1.117 730 Y CA 1.132 59.085 58.100 -0.246 0.000 1.195 730 Y CB 0.111 38.447 38.460 -0.207 0.000 1.076 730 Y HN 0.885 nan 8.280 nan 0.000 0.548 731 G N -0.270 108.121 108.800 -0.680 0.000 2.548 731 G HA2 0.437 4.397 3.960 -0.001 0.000 0.301 731 G HA3 0.437 4.397 3.960 -0.001 0.000 0.301 731 G C -2.605 171.915 174.900 -0.632 0.000 1.349 731 G CA -0.641 44.000 45.100 -0.764 0.000 0.792 731 G HN 0.100 nan 8.290 nan 0.000 0.481 732 L N 0.328 121.407 121.223 -0.240 0.000 2.408 732 L HA 0.900 5.239 4.340 -0.001 0.000 0.268 732 L C -0.337 176.654 176.870 0.202 0.000 0.986 732 L CA -0.645 54.205 54.840 0.016 0.000 0.820 732 L CB 2.176 44.322 42.059 0.146 0.000 1.303 732 L HN 0.839 nan 8.230 nan 0.000 0.411 733 S N 3.387 119.209 115.700 0.204 0.000 2.546 733 S HA 0.941 5.410 4.470 -0.001 0.000 0.272 733 S C -1.279 173.418 174.600 0.161 0.000 1.140 733 S CA 0.001 58.341 58.200 0.234 0.000 0.920 733 S CB 1.389 64.768 63.200 0.299 0.000 1.083 733 S HN 1.109 nan 8.310 nan 0.000 0.476 734 A N 3.154 126.042 122.820 0.113 0.000 2.337 734 A HA 0.840 5.159 4.320 -0.001 0.000 0.329 734 A C -1.066 176.480 177.584 -0.064 0.000 1.146 734 A CA -0.615 51.439 52.037 0.028 0.000 0.800 734 A CB 1.296 20.310 19.000 0.023 0.000 1.220 734 A HN 0.681 nan 8.150 nan 0.000 0.472 735 Q N 0.359 120.022 119.800 -0.229 0.000 2.331 735 Q HA 0.537 4.876 4.340 -0.001 0.000 0.267 735 Q C -1.228 174.539 176.000 -0.389 0.000 1.006 735 Q CA -0.301 55.222 55.803 -0.468 0.000 0.818 735 Q CB 1.944 29.956 28.738 -1.210 0.000 1.276 735 Q HN 0.590 nan 8.270 nan 0.000 0.450 736 L N 3.614 124.723 121.223 -0.190 0.000 2.321 736 L HA 0.491 4.831 4.340 -0.001 0.000 0.272 736 L C -1.560 175.207 176.870 -0.172 0.000 1.050 736 L CA -0.196 54.538 54.840 -0.176 0.000 0.893 736 L CB 0.129 42.099 42.059 -0.148 0.000 1.272 736 L HN 0.578 nan 8.230 nan 0.000 0.435 737 W N 2.619 123.830 121.300 -0.148 0.000 2.202 737 W HA 0.288 4.947 4.660 -0.001 0.000 0.332 737 W C 1.358 177.795 176.519 -0.136 0.000 1.263 737 W CA -0.159 57.100 57.345 -0.144 0.000 1.223 737 W CB 1.131 30.421 29.460 -0.285 0.000 1.128 737 W HN 0.467 nan 8.180 nan 0.000 0.573 738 S N 0.945 116.716 115.700 0.117 0.000 2.664 738 S HA 0.040 4.509 4.470 -0.001 0.000 0.245 738 S C 1.160 175.650 174.600 -0.183 0.000 1.019 738 S CA -0.223 57.999 58.200 0.036 0.000 0.996 738 S CB -0.259 63.059 63.200 0.198 0.000 0.878 738 S HN 0.491 nan 8.310 nan 0.000 0.493 739 E N 1.115 121.088 120.200 -0.377 0.000 2.065 739 E HA -0.142 4.207 4.350 -0.001 0.000 0.201 739 E C 1.906 178.254 176.600 -0.420 0.000 1.016 739 E CA 2.196 58.151 56.400 -0.743 0.000 0.818 739 E CB -0.148 29.151 29.700 -0.669 0.000 0.749 739 E HN 0.639 nan 8.360 nan 0.000 0.453 740 T N -2.541 111.889 114.554 -0.207 0.000 3.105 740 T HA 0.161 4.511 4.350 -0.001 0.000 0.253 740 T C 0.328 175.053 174.700 0.042 0.000 1.047 740 T CA -0.287 61.817 62.100 0.006 0.000 0.944 740 T CB 0.243 69.184 68.868 0.121 0.000 1.016 740 T HN -0.177 nan 8.240 nan 0.000 0.544 741 Q N 1.499 121.320 119.800 0.035 0.000 2.963 741 Q HA 0.431 4.770 4.340 -0.001 0.000 0.262 741 Q C 1.159 177.274 176.000 0.192 0.000 1.318 741 Q CA -0.144 55.734 55.803 0.124 0.000 1.089 741 Q CB 0.381 29.191 28.738 0.120 0.000 1.424 741 Q HN 0.403 nan 8.270 nan 0.000 0.560 742 R N -0.389 120.184 120.500 0.121 0.000 2.189 742 R HA -0.004 4.335 4.340 -0.001 0.000 0.218 742 R C 0.747 177.129 176.300 0.136 0.000 1.074 742 R CA 1.195 57.346 56.100 0.084 0.000 0.991 742 R CB 0.217 30.544 30.300 0.046 0.000 0.883 742 R HN 0.507 nan 8.270 nan 0.000 0.457 743 T N -3.423 111.247 114.554 0.193 0.000 2.907 743 T HA 0.214 4.563 4.350 -0.001 0.000 0.290 743 T C 0.209 175.076 174.700 0.278 0.000 1.066 743 T CA -1.038 61.181 62.100 0.199 0.000 1.012 743 T CB 2.046 70.994 68.868 0.133 0.000 1.184 743 T HN -0.260 nan 8.240 nan 0.000 0.522 744 D N 0.791 121.334 120.400 0.238 0.000 2.117 744 D HA 0.077 4.716 4.640 -0.001 0.000 0.198 744 D C -0.845 175.527 176.300 0.119 0.000 0.982 744 D CA 0.798 54.922 54.000 0.206 0.000 0.828 744 D CB -1.525 39.367 40.800 0.153 0.000 0.967 744 D HN 0.416 nan 8.370 nan 0.000 0.464 745 P HA -0.125 nan 4.420 nan 0.000 0.216 745 P C 1.383 178.760 177.300 0.129 0.000 1.150 745 P CA 1.435 64.596 63.100 0.102 0.000 0.843 745 P CB 0.011 31.755 31.700 0.072 0.000 0.787 746 Q N -1.506 118.362 119.800 0.114 0.000 2.123 746 Q HA -0.111 4.229 4.340 -0.001 0.000 0.199 746 Q C 2.216 178.304 176.000 0.147 0.000 0.966 746 Q CA 1.138 57.008 55.803 0.110 0.000 0.845 746 Q CB -0.548 28.241 28.738 0.085 0.000 0.907 746 Q HN 0.270 nan 8.270 nan 0.000 0.439 747 M N 0.919 120.558 119.600 0.065 0.000 2.080 747 M HA -0.246 4.234 4.480 -0.001 0.000 0.260 747 M C 1.323 177.656 176.300 0.056 0.000 1.068 747 M CA 1.835 57.092 55.300 -0.071 0.000 1.109 747 M CB 0.017 32.363 32.600 -0.424 0.000 1.342 747 M HN 0.081 nan 8.290 nan 0.000 0.405 748 E N -0.716 119.573 120.200 0.148 0.000 2.150 748 E HA -0.227 4.122 4.350 -0.001 0.000 0.193 748 E C 1.801 178.621 176.600 0.367 0.000 0.985 748 E CA 1.513 58.102 56.400 0.315 0.000 0.814 748 E CB -0.439 29.445 29.700 0.306 0.000 0.752 748 E HN 0.693 nan 8.360 nan 0.000 0.466 749 Y N 0.947 121.346 120.300 0.165 0.000 2.224 749 Y HA -0.224 4.325 4.550 -0.001 0.000 0.289 749 Y C 2.009 178.048 175.900 0.230 0.000 1.146 749 Y CA 1.422 59.613 58.100 0.151 0.000 1.182 749 Y CB 0.081 38.587 38.460 0.076 0.000 0.983 749 Y HN -0.026 nan 8.280 nan 0.000 0.524 750 M N -0.595 119.254 119.600 0.414 0.000 2.288 750 M HA -0.075 4.404 4.480 -0.001 0.000 0.266 750 M C 2.148 178.541 176.300 0.154 0.000 1.072 750 M CA 1.232 56.749 55.300 0.362 0.000 1.132 750 M CB -0.770 31.981 32.600 0.251 0.000 1.386 750 M HN 0.382 nan 8.290 nan 0.000 0.432 751 I N -1.305 119.258 120.570 -0.011 0.000 2.339 751 I HA -0.113 4.057 4.170 -0.001 0.000 0.245 751 I C 0.119 176.007 176.117 -0.381 0.000 1.096 751 I CA 0.556 61.658 61.300 -0.331 0.000 1.408 751 I CB 0.086 37.685 38.000 -0.670 0.000 1.092 751 I HN -0.038 nan 8.210 nan 0.000 0.423 752 F N 1.223 121.268 119.950 0.159 0.000 2.450 752 F HA 0.340 4.866 4.527 -0.001 0.000 0.332 752 F C -1.779 174.138 175.800 0.195 0.000 1.093 752 F CA -2.513 55.576 58.000 0.148 0.000 1.003 752 F CB 0.414 39.498 39.000 0.140 0.000 1.151 752 F HN -0.193 nan 8.300 nan 0.000 0.474 753 P HA 0.047 nan 4.420 nan 0.000 0.262 753 P C 0.902 178.345 177.300 0.238 0.000 1.304 753 P CA 0.198 63.458 63.100 0.267 0.000 0.859 753 P CB -0.043 31.694 31.700 0.062 0.000 1.310 754 R N 0.078 120.725 120.500 0.244 0.000 2.237 754 R HA 0.057 4.397 4.340 -0.001 0.000 0.219 754 R C 1.767 178.110 176.300 0.072 0.000 1.080 754 R CA 1.208 57.385 56.100 0.128 0.000 0.995 754 R CB -1.300 28.955 30.300 -0.074 0.000 0.875 754 R HN -0.037 nan 8.270 nan 0.000 0.462 755 A N 1.254 124.068 122.820 -0.010 0.000 2.125 755 A HA -0.032 4.287 4.320 -0.001 0.000 0.219 755 A C 1.908 179.533 177.584 0.069 0.000 1.156 755 A CA 0.765 52.785 52.037 -0.029 0.000 0.671 755 A CB -0.191 18.687 19.000 -0.203 0.000 0.794 755 A HN 0.251 nan 8.150 nan 0.000 0.459 756 L N -0.663 120.610 121.223 0.083 0.000 2.109 756 L HA -0.054 4.286 4.340 -0.001 0.000 0.207 756 L C 2.709 179.768 176.870 0.316 0.000 1.086 756 L CA 1.916 56.772 54.840 0.026 0.000 0.760 756 L CB -0.712 41.248 42.059 -0.165 0.000 0.910 756 L HN 0.266 nan 8.230 nan 0.000 0.437 757 S N -0.995 114.926 115.700 0.368 0.000 2.382 757 S HA -0.136 4.334 4.470 -0.001 0.000 0.228 757 S C 2.096 176.811 174.600 0.191 0.000 1.027 757 S CA 1.183 59.579 58.200 0.327 0.000 0.991 757 S CB -0.243 63.174 63.200 0.362 0.000 0.823 757 S HN 0.197 nan 8.310 nan 0.000 0.469 758 V N 2.100 122.116 119.914 0.170 0.000 2.261 758 V HA -0.232 3.888 4.120 -0.001 0.000 0.246 758 V C 2.681 178.882 176.094 0.179 0.000 1.047 758 V CA 1.816 64.211 62.300 0.158 0.000 1.015 758 V CB -1.277 30.619 31.823 0.121 0.000 0.642 758 V HN 0.545 nan 8.190 nan 0.000 0.446 759 A N 0.016 122.948 122.820 0.186 0.000 1.908 759 A HA -0.293 4.026 4.320 -0.001 0.000 0.218 759 A C 2.187 179.915 177.584 0.240 0.000 1.181 759 A CA 2.237 54.408 52.037 0.223 0.000 0.627 759 A CB -0.560 18.582 19.000 0.237 0.000 0.818 759 A HN 0.627 nan 8.150 nan 0.000 0.445 760 E N 0.003 120.331 120.200 0.213 0.000 2.038 760 E HA -0.243 4.106 4.350 -0.001 0.000 0.195 760 E C 2.141 178.816 176.600 0.124 0.000 1.000 760 E CA 1.913 58.414 56.400 0.168 0.000 0.803 760 E CB -0.243 29.427 29.700 -0.050 0.000 0.750 760 E HN 0.421 nan 8.360 nan 0.000 0.448 761 R N -0.177 120.346 120.500 0.038 0.000 2.148 761 R HA 0.099 4.438 4.340 -0.001 0.000 0.223 761 R C 2.357 178.706 176.300 0.080 0.000 1.088 761 R CA 1.387 57.478 56.100 -0.014 0.000 0.985 761 R CB -0.794 29.499 30.300 -0.012 0.000 0.880 761 R HN 0.189 nan 8.270 nan 0.000 0.451 762 S N -0.859 114.961 115.700 0.199 0.000 2.428 762 S HA -0.070 4.399 4.470 -0.001 0.000 0.230 762 S C 1.200 175.927 174.600 0.211 0.000 1.014 762 S CA 0.893 59.273 58.200 0.299 0.000 0.957 762 S CB -0.249 63.131 63.200 0.300 0.000 0.784 762 S HN 0.613 nan 8.310 nan 0.000 0.499 763 W N 0.976 122.283 121.300 0.012 0.000 2.574 763 W HA 0.205 4.864 4.660 -0.001 0.000 0.282 763 W C 0.421 176.890 176.519 -0.082 0.000 1.197 763 W CA 0.639 57.961 57.345 -0.038 0.000 1.376 763 W CB -0.337 29.126 29.460 0.006 0.000 1.091 763 W HN 0.322 nan 8.180 nan 0.000 0.569 764 H N 0.842 119.958 119.070 0.076 0.000 2.459 764 H HA 0.336 4.891 4.556 -0.001 0.000 0.332 764 H C -0.329 174.839 175.328 -0.266 0.000 1.094 764 H CA -0.440 55.575 56.048 -0.056 0.000 1.224 764 H CB 0.966 30.783 29.762 0.092 0.000 1.449 764 H HN -0.291 nan 8.280 nan 0.000 0.484 765 R N 4.232 124.253 120.500 -0.798 0.000 2.196 765 R HA 0.487 4.826 4.340 -0.001 0.000 0.340 765 R C -0.868 174.740 176.300 -1.153 0.000 1.043 765 R CA -0.293 55.308 56.100 -0.832 0.000 0.883 765 R CB -0.007 29.934 30.300 -0.598 0.000 1.078 765 R HN 0.772 nan 8.270 nan 0.000 0.462 766 A N 2.774 124.918 122.820 -1.126 0.000 2.313 766 A HA 0.381 4.700 4.320 -0.001 0.000 0.261 766 A C 1.342 178.485 177.584 -0.735 0.000 1.090 766 A CA 0.101 51.555 52.037 -0.972 0.000 0.807 766 A CB 0.462 18.663 19.000 -1.331 0.000 1.055 766 A HN 0.879 nan 8.150 nan 0.000 0.492 767 G N 0.164 108.734 108.800 -0.383 0.000 2.432 767 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.219 767 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.219 767 G C 1.161 175.994 174.900 -0.112 0.000 1.135 767 G CA 1.078 46.079 45.100 -0.166 0.000 0.767 767 G HN 0.958 nan 8.290 nan 0.000 0.550 768 W N 0.877 122.186 121.300 0.014 0.000 2.937 768 W HA 0.282 4.941 4.660 -0.001 0.000 0.245 768 W C -0.228 176.283 176.519 -0.013 0.000 1.306 768 W CA -0.259 57.102 57.345 0.026 0.000 1.470 768 W CB -0.264 29.233 29.460 0.062 0.000 1.132 768 W HN 0.175 nan 8.180 nan 0.000 0.675 769 E N 2.746 122.671 120.200 -0.459 0.000 2.003 769 E HA 0.095 4.444 4.350 -0.001 0.000 0.279 769 E C -0.009 176.497 176.600 -0.156 0.000 1.132 769 E CA -0.008 56.178 56.400 -0.356 0.000 0.888 769 E CB 0.559 29.898 29.700 -0.603 0.000 1.056 769 E HN 0.189 nan 8.360 nan 0.000 0.399 770 Q N 1.998 121.787 119.800 -0.018 0.000 2.354 770 Q HA 0.075 4.415 4.340 -0.001 0.000 0.244 770 Q C -0.281 175.733 176.000 0.024 0.000 0.969 770 Q CA -0.476 55.341 55.803 0.024 0.000 0.885 770 Q CB 0.783 29.585 28.738 0.107 0.000 1.241 770 Q HN 0.404 nan 8.270 nan 0.000 0.461 771 D N 0.989 121.409 120.400 0.032 0.000 2.443 771 D HA -0.044 4.596 4.640 -0.001 0.000 0.239 771 D C -0.569 175.813 176.300 0.137 0.000 1.136 771 D CA 0.272 54.316 54.000 0.073 0.000 0.879 771 D CB 0.320 41.150 40.800 0.051 0.000 1.195 771 D HN 0.367 nan 8.370 nan 0.000 0.443 772 Y N 1.992 122.345 120.300 0.089 0.000 2.497 772 Y HA 0.096 4.646 4.550 -0.001 0.000 0.334 772 Y C 0.107 176.053 175.900 0.076 0.000 1.199 772 Y CA 0.222 58.387 58.100 0.109 0.000 1.425 772 Y CB 0.572 39.172 38.460 0.235 0.000 1.291 772 Y HN 0.171 nan 8.280 nan 0.000 0.562 773 R N 4.868 124.990 120.500 -0.629 0.000 2.473 773 R HA 0.558 4.897 4.340 -0.001 0.000 0.303 773 R C -0.899 174.958 176.300 -0.739 0.000 1.002 773 R CA -0.880 54.924 56.100 -0.493 0.000 0.884 773 R CB 1.460 31.569 30.300 -0.319 0.000 1.173 773 R HN 0.849 nan 8.270 nan 0.000 0.464 774 A N 1.266 123.792 122.820 -0.490 0.000 2.540 774 A HA 0.412 4.731 4.320 -0.001 0.000 0.239 774 A C 1.358 178.837 177.584 -0.174 0.000 1.061 774 A CA 1.152 53.048 52.037 -0.235 0.000 0.758 774 A CB -0.134 18.906 19.000 0.066 0.000 0.991 774 A HN 1.020 nan 8.150 nan 0.000 0.502 775 G N 1.274 110.000 108.800 -0.124 0.000 2.199 775 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.254 775 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.254 775 G C 0.486 175.289 174.900 -0.163 0.000 0.982 775 G CA 0.608 45.649 45.100 -0.097 0.000 0.632 775 G HN 1.121 nan 8.290 nan 0.000 0.529 776 R N 1.194 121.528 120.500 -0.277 0.000 2.267 776 R HA 0.508 4.847 4.340 -0.001 0.000 0.319 776 R C -0.295 175.797 176.300 -0.345 0.000 1.067 776 R CA -0.246 55.593 56.100 -0.434 0.000 0.936 776 R CB 0.390 30.286 30.300 -0.674 0.000 1.006 776 R HN 0.322 nan 8.270 nan 0.000 0.452 777 E N 4.449 124.481 120.200 -0.280 0.000 2.113 777 E HA 0.127 4.476 4.350 -0.001 0.000 0.273 777 E C -1.346 175.192 176.600 -0.103 0.000 0.924 777 E CA -0.694 55.630 56.400 -0.126 0.000 0.764 777 E CB 0.685 30.361 29.700 -0.040 0.000 1.104 777 E HN 0.531 nan 8.360 nan 0.000 0.406 778 Y N 2.963 123.214 120.300 -0.081 0.000 2.313 778 Y HA 0.265 4.814 4.550 -0.001 0.000 0.332 778 Y C 0.191 176.034 175.900 -0.096 0.000 1.071 778 Y CA -0.271 57.822 58.100 -0.012 0.000 1.169 778 Y CB 1.138 39.548 38.460 -0.084 0.000 1.192 778 Y HN 0.198 nan 8.280 nan 0.000 0.487 779 K N 2.664 123.085 120.400 0.034 0.000 2.535 779 K HA 0.352 4.671 4.320 -0.001 0.000 0.253 779 K C 0.023 176.521 176.600 -0.170 0.000 0.953 779 K CA -0.712 55.529 56.287 -0.076 0.000 0.863 779 K CB 1.601 34.062 32.500 -0.066 0.000 1.111 779 K HN 0.900 nan 8.250 nan 0.000 0.431 780 G N 0.594 109.264 108.800 -0.216 0.000 2.265 780 G HA2 0.253 4.212 3.960 -0.001 0.000 0.240 780 G HA3 0.253 4.212 3.960 -0.001 0.000 0.240 780 G C 1.036 175.596 174.900 -0.567 0.000 1.270 780 G CA 0.729 45.669 45.100 -0.267 0.000 0.901 780 G HN 0.840 nan 8.290 nan 0.000 0.507 781 G N 1.294 109.715 108.800 -0.632 0.000 2.184 781 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.264 781 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.264 781 G C 0.786 175.437 174.900 -0.415 0.000 0.975 781 G CA 1.193 45.856 45.100 -0.728 0.000 0.642 781 G HN 0.931 nan 8.290 nan 0.000 0.536 782 E N -0.493 119.480 120.200 -0.378 0.000 2.713 782 E HA 0.145 4.495 4.350 -0.001 0.000 0.201 782 E C 1.329 177.721 176.600 -0.346 0.000 0.935 782 E CA 0.859 57.106 56.400 -0.255 0.000 1.273 782 E CB 0.137 29.740 29.700 -0.162 0.000 1.221 782 E HN 0.579 nan 8.360 nan 0.000 0.547 783 T N -1.024 113.311 114.554 -0.365 0.000 2.904 783 T HA 0.247 4.596 4.350 -0.001 0.000 0.290 783 T C 0.209 174.532 174.700 -0.629 0.000 1.018 783 T CA -0.436 61.419 62.100 -0.409 0.000 1.075 783 T CB 1.022 69.746 68.868 -0.241 0.000 0.986 783 T HN 0.198 nan 8.240 nan 0.000 0.523 784 H N 1.023 119.903 119.070 -0.316 0.000 2.651 784 H HA 0.243 4.799 4.556 -0.001 0.000 0.241 784 H C 0.042 175.289 175.328 -0.134 0.000 1.225 784 H CA -0.372 55.576 56.048 -0.166 0.000 0.942 784 H CB -0.122 29.550 29.762 -0.149 0.000 1.996 784 H HN 0.568 nan 8.280 nan 0.000 0.600 785 F N 0.679 120.665 119.950 0.059 0.000 2.146 785 F HA -0.095 4.431 4.527 -0.001 0.000 0.298 785 F C 1.509 177.399 175.800 0.151 0.000 1.096 785 F CA 0.572 58.606 58.000 0.057 0.000 1.275 785 F CB -0.028 38.929 39.000 -0.070 0.000 1.008 785 F HN -0.076 nan 8.300 nan 0.000 0.480 786 V N 1.263 121.420 119.914 0.404 0.000 2.614 786 V HA -0.041 4.078 4.120 -0.001 0.000 0.291 786 V C 0.175 176.398 176.094 0.214 0.000 1.049 786 V CA -0.643 61.839 62.300 0.303 0.000 1.038 786 V CB 0.856 32.825 31.823 0.244 0.000 0.980 786 V HN 0.028 nan 8.190 nan 0.000 0.481 787 D N 3.688 124.220 120.400 0.219 0.000 2.541 787 D HA 0.001 4.640 4.640 -0.001 0.000 0.231 787 D C 1.604 177.986 176.300 0.137 0.000 1.163 787 D CA 0.429 54.538 54.000 0.181 0.000 1.077 787 D CB 0.521 41.448 40.800 0.212 0.000 1.110 787 D HN 0.804 nan 8.370 nan 0.000 0.499 788 T N -0.022 114.585 114.554 0.088 0.000 2.833 788 T HA -0.241 4.109 4.350 -0.001 0.000 0.269 788 T C 1.770 176.476 174.700 0.009 0.000 1.054 788 T CA 0.972 63.082 62.100 0.016 0.000 1.135 788 T CB -0.051 68.833 68.868 0.027 0.000 0.869 788 T HN 0.202 nan 8.240 nan 0.000 0.466 789 Q N 1.384 121.214 119.800 0.050 0.000 2.061 789 Q HA 0.047 4.386 4.340 -0.001 0.000 0.204 789 Q C 2.685 178.724 176.000 0.064 0.000 0.984 789 Q CA 2.044 57.879 55.803 0.053 0.000 0.846 789 Q CB -0.746 28.029 28.738 0.061 0.000 0.902 789 Q HN 0.738 nan 8.270 nan 0.000 0.421 790 A N -0.039 122.843 122.820 0.104 0.000 1.930 790 A HA -0.144 4.175 4.320 -0.001 0.000 0.217 790 A C 1.953 179.596 177.584 0.098 0.000 1.175 790 A CA 1.278 53.422 52.037 0.177 0.000 0.627 790 A CB -0.711 18.465 19.000 0.293 0.000 0.815 790 A HN 0.415 nan 8.150 nan 0.000 0.443 791 L N 0.090 121.194 121.223 -0.199 0.000 1.994 791 L HA -0.153 4.187 4.340 -0.001 0.000 0.208 791 L C 2.198 178.932 176.870 -0.226 0.000 1.071 791 L CA 2.747 57.116 54.840 -0.785 0.000 0.745 791 L CB -0.780 40.696 42.059 -0.972 0.000 0.892 791 L HN 0.491 nan 8.230 nan 0.000 0.431 792 E N 0.092 120.243 120.200 -0.082 0.000 2.110 792 E HA -0.304 4.046 4.350 -0.001 0.000 0.193 792 E C 2.219 178.868 176.600 0.082 0.000 0.988 792 E CA 1.508 57.931 56.400 0.040 0.000 0.804 792 E CB -0.069 29.652 29.700 0.036 0.000 0.745 792 E HN 0.634 nan 8.360 nan 0.000 0.458 793 K N 0.387 120.833 120.400 0.077 0.000 2.097 793 K HA -0.170 4.149 4.320 -0.001 0.000 0.205 793 K C 1.920 178.592 176.600 0.119 0.000 1.050 793 K CA 1.607 57.945 56.287 0.085 0.000 0.938 793 K CB -0.104 32.456 32.500 0.101 0.000 0.718 793 K HN -0.057 nan 8.250 nan 0.000 0.442 794 D N 0.278 120.813 120.400 0.225 0.000 2.097 794 D HA -0.217 4.422 4.640 -0.001 0.000 0.195 794 D C 1.555 177.995 176.300 0.232 0.000 0.989 794 D CA 1.015 55.250 54.000 0.392 0.000 0.827 794 D CB -0.304 40.947 40.800 0.752 0.000 0.966 794 D HN 0.449 nan 8.370 nan 0.000 0.456 795 W N 0.933 122.172 121.300 -0.100 0.000 2.358 795 W HA -0.216 4.443 4.660 -0.001 0.000 0.303 795 W C 1.882 178.263 176.519 -0.230 0.000 1.208 795 W CA 0.657 57.675 57.345 -0.544 0.000 1.274 795 W CB -0.450 28.734 29.460 -0.460 0.000 1.138 795 W HN 0.095 nan 8.180 nan 0.000 0.515 796 L N 1.986 123.025 121.223 -0.308 0.000 2.042 796 L HA -0.183 4.157 4.340 -0.001 0.000 0.210 796 L C 2.644 179.301 176.870 -0.355 0.000 1.076 796 L CA 2.081 56.713 54.840 -0.346 0.000 0.749 796 L CB -0.918 41.072 42.059 -0.116 0.000 0.893 796 L HN -0.136 nan 8.230 nan 0.000 0.432 797 R N -1.732 118.646 120.500 -0.203 0.000 2.075 797 R HA -0.152 4.188 4.340 -0.001 0.000 0.232 797 R C 2.247 178.422 176.300 -0.208 0.000 1.126 797 R CA 1.690 57.707 56.100 -0.138 0.000 0.963 797 R CB -0.567 29.727 30.300 -0.010 0.000 0.858 797 R HN 0.372 nan 8.270 nan 0.000 0.435 798 F N 1.296 120.988 119.950 -0.431 0.000 2.102 798 F HA -0.146 4.380 4.527 -0.001 0.000 0.298 798 F C 2.319 177.728 175.800 -0.652 0.000 1.105 798 F CA 1.416 59.142 58.000 -0.458 0.000 1.239 798 F CB -0.390 38.304 39.000 -0.510 0.000 0.991 798 F HN -0.008 nan 8.300 nan 0.000 0.474 799 A N 0.190 122.403 122.820 -1.010 0.000 1.948 799 A HA -0.256 4.063 4.320 -0.001 0.000 0.220 799 A C 2.156 179.447 177.584 -0.488 0.000 1.177 799 A CA 2.070 53.575 52.037 -0.888 0.000 0.636 799 A CB -1.028 17.371 19.000 -1.001 0.000 0.815 799 A HN 0.554 nan 8.150 nan 0.000 0.449 800 N N -0.453 117.996 118.700 -0.419 0.000 2.270 800 N HA -0.042 4.697 4.740 -0.001 0.000 0.181 800 N C 1.694 177.043 175.510 -0.269 0.000 1.016 800 N CA 1.321 54.208 53.050 -0.273 0.000 0.870 800 N CB -0.189 38.173 38.487 -0.208 0.000 0.979 800 N HN 0.547 nan 8.380 nan 0.000 0.431 801 I N 0.676 121.038 120.570 -0.347 0.000 2.315 801 I HA -0.229 3.940 4.170 -0.001 0.000 0.248 801 I C 1.922 177.829 176.117 -0.350 0.000 1.117 801 I CA 0.623 61.723 61.300 -0.334 0.000 1.404 801 I CB 0.002 37.763 38.000 -0.398 0.000 1.071 801 I HN 0.028 nan 8.210 nan 0.000 0.419 802 L N 0.495 121.451 121.223 -0.445 0.000 2.027 802 L HA -0.087 4.252 4.340 -0.001 0.000 0.206 802 L C 2.528 179.256 176.870 -0.238 0.000 1.074 802 L CA 2.123 56.751 54.840 -0.353 0.000 0.745 802 L CB -1.410 40.444 42.059 -0.343 0.000 0.898 802 L HN 0.222 nan 8.230 nan 0.000 0.433 803 G N -1.751 106.928 108.800 -0.202 0.000 2.402 803 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.216 803 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.216 803 G C 1.432 176.265 174.900 -0.111 0.000 1.162 803 G CA 0.372 45.393 45.100 -0.131 0.000 0.777 803 G HN 0.473 nan 8.290 nan 0.000 0.539 804 Q N -1.148 118.575 119.800 -0.128 0.000 2.392 804 Q HA 0.279 4.618 4.340 -0.001 0.000 0.203 804 Q C 2.090 178.028 176.000 -0.103 0.000 0.917 804 Q CA 0.162 55.905 55.803 -0.100 0.000 0.939 804 Q CB 0.635 29.314 28.738 -0.097 0.000 1.063 804 Q HN 0.460 nan 8.270 nan 0.000 0.516 805 R N -0.587 119.835 120.500 -0.130 0.000 3.350 805 R HA 0.032 4.371 4.340 -0.001 0.000 0.148 805 R C 1.226 177.451 176.300 -0.125 0.000 0.732 805 R CA 0.065 56.093 56.100 -0.120 0.000 1.152 805 R CB 0.613 30.838 30.300 -0.124 0.000 1.613 805 R HN -0.063 nan 8.270 nan 0.000 0.529 806 E N 1.184 121.292 120.200 -0.153 0.000 2.152 806 E HA -0.092 4.258 4.350 -0.001 0.000 0.192 806 E C 1.841 178.340 176.600 -0.168 0.000 0.983 806 E CA 0.733 57.059 56.400 -0.124 0.000 0.818 806 E CB 0.113 29.738 29.700 -0.125 0.000 0.758 806 E HN 0.184 nan 8.360 nan 0.000 0.467 807 L N 1.007 122.089 121.223 -0.235 0.000 2.131 807 L HA -0.107 4.232 4.340 -0.001 0.000 0.210 807 L C 2.274 179.028 176.870 -0.194 0.000 1.092 807 L CA 1.490 56.112 54.840 -0.362 0.000 0.759 807 L CB -0.988 40.865 42.059 -0.345 0.000 0.903 807 L HN 0.032 nan 8.230 nan 0.000 0.435 808 A N -1.050 121.707 122.820 -0.106 0.000 2.019 808 A HA -0.213 4.107 4.320 -0.001 0.000 0.219 808 A C 2.327 179.877 177.584 -0.057 0.000 1.164 808 A CA 1.534 53.539 52.037 -0.053 0.000 0.644 808 A CB -0.355 18.612 19.000 -0.055 0.000 0.805 808 A HN 0.417 nan 8.150 nan 0.000 0.449 809 K N -0.391 119.958 120.400 -0.084 0.000 2.116 809 K HA 0.103 4.422 4.320 -0.001 0.000 0.203 809 K C 1.724 178.275 176.600 -0.081 0.000 1.052 809 K CA 0.934 57.171 56.287 -0.083 0.000 0.952 809 K CB -0.286 32.161 32.500 -0.088 0.000 0.729 809 K HN 0.450 nan 8.250 nan 0.000 0.446 810 L N 1.293 122.448 121.223 -0.114 0.000 2.131 810 L HA -0.206 4.133 4.340 -0.001 0.000 0.210 810 L C 1.740 178.628 176.870 0.031 0.000 1.092 810 L CA 0.990 55.754 54.840 -0.126 0.000 0.759 810 L CB -0.531 41.318 42.059 -0.350 0.000 0.903 810 L HN 0.175 nan 8.230 nan 0.000 0.435 811 D N 0.659 121.119 120.400 0.101 0.000 2.104 811 D HA -0.180 4.460 4.640 -0.001 0.000 0.194 811 D C 2.148 178.454 176.300 0.010 0.000 0.994 811 D CA 1.344 55.406 54.000 0.103 0.000 0.830 811 D CB -0.081 40.757 40.800 0.063 0.000 0.959 811 D HN 0.286 nan 8.370 nan 0.000 0.452 812 K N 0.107 120.496 120.400 -0.019 0.000 2.211 812 K HA -0.008 4.312 4.320 -0.001 0.000 0.203 812 K C 2.017 178.591 176.600 -0.044 0.000 1.050 812 K CA 0.971 57.236 56.287 -0.036 0.000 0.945 812 K CB -0.099 32.371 32.500 -0.050 0.000 0.732 812 K HN 0.096 nan 8.250 nan 0.000 0.451 813 G N 0.213 108.979 108.800 -0.056 0.000 2.572 813 G HA2 0.021 3.980 3.960 -0.001 0.000 0.216 813 G HA3 0.021 3.980 3.960 -0.001 0.000 0.216 813 G C 0.888 175.751 174.900 -0.062 0.000 1.133 813 G CA 0.420 45.476 45.100 -0.073 0.000 0.791 813 G HN 0.381 nan 8.290 nan 0.000 0.538 814 G N -0.885 107.889 108.800 -0.043 0.000 2.160 814 G HA2 -0.068 3.892 3.960 -0.001 0.000 0.244 814 G HA3 -0.068 3.892 3.960 -0.001 0.000 0.244 814 G C 0.233 175.110 174.900 -0.038 0.000 1.022 814 G CA 0.352 45.430 45.100 -0.035 0.000 0.741 814 G HN 1.470 nan 8.290 nan 0.000 0.508 815 V N -2.703 117.182 119.914 -0.048 0.000 2.427 815 V HA 0.879 4.998 4.120 -0.001 0.000 0.286 815 V C 0.716 176.832 176.094 0.037 0.000 1.034 815 V CA -0.431 61.843 62.300 -0.043 0.000 0.893 815 V CB 1.665 33.319 31.823 -0.282 0.000 0.982 815 V HN 1.564 nan 8.190 nan 0.000 0.452 816 A N 5.121 127.973 122.820 0.053 0.000 3.091 816 A HA 0.506 4.825 4.320 -0.001 0.000 0.264 816 A C 0.210 177.824 177.584 0.050 0.000 1.673 816 A CA -0.519 51.511 52.037 -0.012 0.000 1.362 816 A CB -1.324 17.693 19.000 0.029 0.000 1.137 816 A HN 1.180 nan 8.150 nan 0.000 0.617 817 Y N -0.828 119.509 120.300 0.063 0.000 2.385 817 Y HA 0.392 4.941 4.550 -0.001 0.000 0.346 817 Y C 0.656 176.533 175.900 -0.038 0.000 1.270 817 Y CA -1.153 56.994 58.100 0.078 0.000 1.472 817 Y CB 0.460 38.960 38.460 0.067 0.000 1.354 817 Y HN 0.470 nan 8.280 nan 0.000 0.611 818 R N 2.677 123.129 120.500 -0.080 0.000 2.347 818 R HA 0.357 4.697 4.340 -0.001 0.000 0.304 818 R C -1.434 174.784 176.300 -0.137 0.000 1.072 818 R CA -0.335 55.465 56.100 -0.500 0.000 0.980 818 R CB 0.132 29.576 30.300 -1.427 0.000 0.986 818 R HN 0.925 nan 8.270 nan 0.000 0.448 819 L N 7.658 128.816 121.223 -0.108 0.000 2.275 819 L HA 0.432 4.772 4.340 -0.001 0.000 0.288 819 L C -1.877 174.967 176.870 -0.043 0.000 1.046 819 L CA -2.272 52.566 54.840 -0.003 0.000 0.805 819 L CB 1.833 43.882 42.059 -0.018 0.000 1.193 819 L HN 0.612 nan 8.230 nan 0.000 0.426 820 P HA 0.094 nan 4.420 nan 0.000 0.275 820 P C -0.590 176.716 177.300 0.009 0.000 1.228 820 P CA -0.287 62.802 63.100 -0.018 0.000 0.786 820 P CB 0.902 32.615 31.700 0.021 0.000 0.927 821 V N 5.024 124.945 119.914 0.012 0.000 2.686 821 V HA 0.155 4.274 4.120 -0.001 0.000 0.295 821 V C -1.757 174.350 176.094 0.021 0.000 1.055 821 V CA -1.431 60.882 62.300 0.022 0.000 1.050 821 V CB 0.093 31.931 31.823 0.025 0.000 0.984 821 V HN 0.561 nan 8.190 nan 0.000 0.482 822 P HA 0.132 nan 4.420 nan 0.000 0.270 822 P C 0.030 177.344 177.300 0.023 0.000 1.221 822 P CA 0.321 63.432 63.100 0.018 0.000 0.788 822 P CB 0.440 32.151 31.700 0.018 0.000 0.904 823 G N -0.345 108.469 108.800 0.024 0.000 2.388 823 G HA2 0.647 4.606 3.960 -0.001 0.000 0.330 823 G HA3 0.647 4.606 3.960 -0.001 0.000 0.330 823 G C -1.406 173.618 174.900 0.207 0.000 1.142 823 G CA -0.319 44.836 45.100 0.091 0.000 0.908 823 G HN 0.591 nan 8.290 nan 0.000 0.473 824 A N 2.096 125.049 122.820 0.223 0.000 2.606 824 A HA 0.967 5.286 4.320 -0.001 0.000 0.293 824 A C -0.455 177.093 177.584 -0.061 0.000 1.082 824 A CA -0.874 51.235 52.037 0.120 0.000 0.685 824 A CB 1.868 20.869 19.000 0.001 0.000 1.284 824 A HN 1.363 nan 8.150 nan 0.000 0.408 825 R N -0.307 120.050 120.500 -0.238 0.000 2.734 825 R HA 0.782 5.121 4.340 -0.001 0.000 0.271 825 R C -2.115 174.052 176.300 -0.221 0.000 1.021 825 R CA -0.793 55.128 56.100 -0.298 0.000 0.893 825 R CB 1.434 31.402 30.300 -0.554 0.000 1.244 825 R HN 0.511 nan 8.270 nan 0.000 0.464 826 V N 0.776 120.591 119.914 -0.166 0.000 2.448 826 V HA 0.818 4.937 4.120 -0.001 0.000 0.295 826 V C -0.560 175.465 176.094 -0.115 0.000 1.025 826 V CA -0.421 61.807 62.300 -0.119 0.000 0.859 826 V CB 1.247 33.020 31.823 -0.083 0.000 0.988 826 V HN 0.949 nan 8.190 nan 0.000 0.431 827 A N 3.094 125.855 122.820 -0.099 0.000 2.427 827 A HA 0.747 5.066 4.320 -0.001 0.000 0.298 827 A C 0.730 178.281 177.584 -0.054 0.000 1.036 827 A CA -0.021 51.968 52.037 -0.081 0.000 0.701 827 A CB 1.486 20.429 19.000 -0.096 0.000 1.250 827 A HN 2.023 nan 8.150 nan 0.000 0.412 828 G N 0.903 109.677 108.800 -0.043 0.000 2.203 828 G HA2 0.140 4.100 3.960 -0.001 0.000 0.263 828 G HA3 0.140 4.100 3.960 -0.001 0.000 0.263 828 G C 1.688 176.569 174.900 -0.032 0.000 1.012 828 G CA 1.382 46.463 45.100 -0.032 0.000 0.749 828 G HN 2.897 nan 8.290 nan 0.000 0.512 829 G N -1.729 107.048 108.800 -0.038 0.000 2.153 829 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.252 829 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.252 829 G C 0.191 175.067 174.900 -0.039 0.000 0.994 829 G CA 1.314 46.393 45.100 -0.036 0.000 0.698 829 G HN 1.101 nan 8.290 nan 0.000 0.521 830 K N -1.038 119.335 120.400 -0.044 0.000 2.395 830 K HA 0.706 5.025 4.320 -0.001 0.000 0.247 830 K C -0.706 175.862 176.600 -0.054 0.000 0.973 830 K CA -1.236 55.023 56.287 -0.046 0.000 0.828 830 K CB 2.278 34.758 32.500 -0.032 0.000 1.272 830 K HN 0.088 nan 8.250 nan 0.000 0.439 831 L N 1.817 123.005 121.223 -0.059 0.000 2.290 831 L HA 0.229 4.568 4.340 -0.001 0.000 0.284 831 L C -0.478 176.428 176.870 0.059 0.000 1.078 831 L CA 0.401 55.205 54.840 -0.059 0.000 0.815 831 L CB 0.717 42.682 42.059 -0.156 0.000 1.162 831 L HN 0.633 nan 8.230 nan 0.000 0.435 832 E N 4.192 124.388 120.200 -0.007 0.000 2.176 832 E HA 0.748 5.098 4.350 -0.001 0.000 0.267 832 E C -1.551 175.060 176.600 0.018 0.000 0.893 832 E CA -0.762 55.701 56.400 0.106 0.000 0.761 832 E CB 1.450 31.196 29.700 0.076 0.000 1.133 832 E HN 0.808 nan 8.360 nan 0.000 0.409 833 A N 4.055 126.792 122.820 -0.139 0.000 2.454 833 A HA 0.702 5.021 4.320 -0.001 0.000 0.302 833 A C -1.144 176.424 177.584 -0.027 0.000 1.079 833 A CA -0.840 51.056 52.037 -0.235 0.000 0.731 833 A CB 1.361 19.829 19.000 -0.887 0.000 1.299 833 A HN 0.809 nan 8.150 nan 0.000 0.413 834 N N -0.363 118.311 118.700 -0.044 0.000 2.972 834 N HA 0.790 5.530 4.740 -0.001 0.000 0.262 834 N C -1.395 174.061 175.510 -0.090 0.000 1.478 834 N CA -0.554 52.425 53.050 -0.119 0.000 0.841 834 N CB 1.271 39.535 38.487 -0.372 0.000 1.512 834 N HN 0.737 nan 8.380 nan 0.000 0.548 835 I N -1.905 118.620 120.570 -0.075 0.000 2.918 835 I HA 0.627 4.796 4.170 -0.001 0.000 0.301 835 I C 0.367 176.478 176.117 -0.010 0.000 1.312 835 I CA -0.693 60.591 61.300 -0.028 0.000 1.007 835 I CB 2.240 40.242 38.000 0.003 0.000 1.281 835 I HN 0.804 nan 8.210 nan 0.000 0.440 836 A N 5.721 128.561 122.820 0.033 0.000 2.067 836 A HA 0.211 4.530 4.320 -0.001 0.000 0.219 836 A C 0.590 178.245 177.584 0.118 0.000 1.158 836 A CA 1.104 53.204 52.037 0.105 0.000 0.661 836 A CB -0.464 18.623 19.000 0.144 0.000 0.801 836 A HN 0.481 nan 8.150 nan 0.000 0.452 837 L N 0.547 121.795 121.223 0.041 0.000 2.462 837 L HA 0.300 4.639 4.340 -0.001 0.000 0.255 837 L C -2.855 173.980 176.870 -0.059 0.000 1.076 837 L CA -2.063 52.761 54.840 -0.026 0.000 0.920 837 L CB 1.714 43.766 42.059 -0.011 0.000 1.214 837 L HN -0.069 nan 8.230 nan 0.000 0.472 838 P HA 0.098 nan 4.420 nan 0.000 0.264 838 P C 0.937 178.194 177.300 -0.071 0.000 1.183 838 P CA 0.830 63.888 63.100 -0.070 0.000 0.763 838 P CB 1.013 32.658 31.700 -0.090 0.000 0.807 839 G N 2.018 110.797 108.800 -0.034 0.000 2.481 839 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.200 839 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.200 839 G C -0.094 174.801 174.900 -0.009 0.000 1.012 839 G CA -0.562 44.517 45.100 -0.035 0.000 0.676 839 G HN 0.459 nan 8.290 nan 0.000 0.488 840 L N 2.259 123.481 121.223 -0.002 0.000 2.456 840 L HA 0.484 4.824 4.340 -0.001 0.000 0.272 840 L C 1.562 178.465 176.870 0.056 0.000 1.189 840 L CA 0.207 55.062 54.840 0.024 0.000 0.846 840 L CB 0.698 42.776 42.059 0.031 0.000 1.111 840 L HN 0.319 nan 8.230 nan 0.000 0.475 841 G N 4.100 112.939 108.800 0.066 0.000 2.441 841 G HA2 0.420 4.379 3.960 -0.001 0.000 0.243 841 G HA3 0.420 4.379 3.960 -0.001 0.000 0.243 841 G C -0.481 174.499 174.900 0.133 0.000 1.281 841 G CA -0.430 44.733 45.100 0.104 0.000 0.854 841 G HN 0.481 nan 8.290 nan 0.000 0.560 842 I N 1.169 121.857 120.570 0.197 0.000 2.474 842 I HA 0.346 4.516 4.170 -0.001 0.000 0.294 842 I C -0.026 176.270 176.117 0.299 0.000 1.005 842 I CA -0.466 60.960 61.300 0.210 0.000 1.113 842 I CB 2.081 40.188 38.000 0.179 0.000 1.289 842 I HN 0.503 nan 8.210 nan 0.000 0.436 843 E N 5.118 125.489 120.200 0.284 0.000 2.299 843 E HA 0.558 4.907 4.350 -0.001 0.000 0.265 843 E C -1.718 175.213 176.600 0.552 0.000 0.911 843 E CA -0.818 55.808 56.400 0.376 0.000 0.789 843 E CB 2.749 32.614 29.700 0.275 0.000 1.246 843 E HN 0.486 nan 8.360 nan 0.000 0.427 844 Y N -1.776 118.771 120.300 0.412 0.000 2.581 844 Y HA 0.745 5.294 4.550 -0.001 0.000 0.345 844 Y C -0.821 175.026 175.900 -0.088 0.000 1.036 844 Y CA -1.151 57.089 58.100 0.232 0.000 1.042 844 Y CB 1.872 40.406 38.460 0.124 0.000 1.289 844 Y HN 0.363 nan 8.280 nan 0.000 0.471 845 S N 0.165 115.587 115.700 -0.464 0.000 2.571 845 S HA 0.473 4.942 4.470 -0.001 0.000 0.284 845 S C -0.116 174.267 174.600 -0.361 0.000 1.128 845 S CA -0.005 57.719 58.200 -0.792 0.000 0.970 845 S CB 1.151 63.287 63.200 -1.774 0.000 1.039 845 S HN 1.137 nan 8.310 nan 0.000 0.485 846 T N -0.181 114.227 114.554 -0.243 0.000 3.044 846 T HA 0.213 4.563 4.350 -0.001 0.000 0.260 846 T C 0.174 174.790 174.700 -0.139 0.000 1.019 846 T CA 0.166 62.197 62.100 -0.114 0.000 0.921 846 T CB -0.244 68.612 68.868 -0.020 0.000 1.053 846 T HN 0.611 nan 8.240 nan 0.000 0.533 847 D N 0.800 121.071 120.400 -0.214 0.000 2.670 847 D HA 0.325 4.964 4.640 -0.001 0.000 0.255 847 D C 1.283 177.479 176.300 -0.173 0.000 1.286 847 D CA -0.450 53.449 54.000 -0.168 0.000 0.830 847 D CB -0.411 40.292 40.800 -0.161 0.000 1.065 847 D HN 0.364 nan 8.370 nan 0.000 0.486 848 G N -0.139 108.552 108.800 -0.181 0.000 2.221 848 G HA2 -0.026 3.934 3.960 -0.001 0.000 0.265 848 G HA3 -0.026 3.934 3.960 -0.001 0.000 0.265 848 G C 1.133 175.943 174.900 -0.150 0.000 1.041 848 G CA 0.311 45.330 45.100 -0.134 0.000 0.807 848 G HN 1.443 nan 8.290 nan 0.000 0.502 849 G N -1.420 107.179 108.800 -0.335 0.000 2.143 849 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.249 849 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.249 849 G C 1.255 176.061 174.900 -0.156 0.000 0.981 849 G CA 1.229 46.144 45.100 -0.310 0.000 0.665 849 G HN 0.779 nan 8.290 nan 0.000 0.528 850 K N -0.579 119.693 120.400 -0.213 0.000 2.044 850 K HA 0.135 4.454 4.320 -0.001 0.000 0.204 850 K C 1.164 177.705 176.600 -0.099 0.000 1.049 850 K CA 1.076 57.307 56.287 -0.093 0.000 0.945 850 K CB -0.016 32.435 32.500 -0.083 0.000 0.724 850 K HN 0.456 nan 8.250 nan 0.000 0.440 851 Q N -0.832 118.813 119.800 -0.259 0.000 2.353 851 Q HA 0.268 4.607 4.340 -0.001 0.000 0.268 851 Q C -1.237 174.494 176.000 -0.448 0.000 1.045 851 Q CA -0.328 55.354 55.803 -0.202 0.000 0.811 851 Q CB 1.556 30.210 28.738 -0.140 0.000 1.305 851 Q HN 0.016 nan 8.270 nan 0.000 0.447 852 W N 1.713 122.911 121.300 -0.169 0.000 2.666 852 W HA 0.500 5.159 4.660 -0.001 0.000 0.334 852 W C -0.062 176.305 176.519 -0.254 0.000 1.051 852 W CA -0.425 56.784 57.345 -0.226 0.000 1.224 852 W CB 1.522 30.849 29.460 -0.222 0.000 1.405 852 W HN 0.328 nan 8.180 nan 0.000 0.513 853 Q N 1.853 121.521 119.800 -0.220 0.000 2.397 853 Q HA 0.465 4.804 4.340 -0.001 0.000 0.275 853 Q C -0.608 175.319 176.000 -0.121 0.000 1.090 853 Q CA -1.513 54.121 55.803 -0.281 0.000 0.809 853 Q CB 2.819 31.221 28.738 -0.560 0.000 1.362 853 Q HN 0.455 nan 8.270 nan 0.000 0.431 854 R N 1.380 121.929 120.500 0.083 0.000 2.491 854 R HA 0.099 4.438 4.340 -0.001 0.000 0.283 854 R C -1.294 175.262 176.300 0.426 0.000 1.072 854 R CA -0.142 56.092 56.100 0.223 0.000 1.048 854 R CB 0.413 30.806 30.300 0.154 0.000 0.983 854 R HN 0.724 nan 8.270 nan 0.000 0.450 855 Y N 3.636 124.150 120.300 0.357 0.000 2.316 855 Y HA 0.225 4.774 4.550 -0.001 0.000 0.331 855 Y C -0.989 175.005 175.900 0.157 0.000 1.083 855 Y CA -0.588 57.697 58.100 0.309 0.000 1.206 855 Y CB 1.118 39.731 38.460 0.254 0.000 1.195 855 Y HN 0.685 nan 8.280 nan 0.000 0.497 856 D N 4.867 124.959 120.400 -0.513 0.000 2.425 856 D HA 0.360 4.999 4.640 -0.001 0.000 0.240 856 D C 0.457 176.307 176.300 -0.750 0.000 1.080 856 D CA 0.018 53.744 54.000 -0.455 0.000 0.836 856 D CB 1.764 42.453 40.800 -0.186 0.000 1.125 856 D HN 0.788 nan 8.370 nan 0.000 0.525 857 A N 4.646 127.083 122.820 -0.639 0.000 1.940 857 A HA -0.170 4.149 4.320 -0.001 0.000 0.219 857 A C 1.561 179.028 177.584 -0.195 0.000 1.176 857 A CA 1.246 53.054 52.037 -0.381 0.000 0.631 857 A CB -0.217 18.756 19.000 -0.046 0.000 0.814 857 A HN 0.606 nan 8.150 nan 0.000 0.446 858 K N -0.757 119.551 120.400 -0.153 0.000 2.504 858 K HA 0.377 4.696 4.320 -0.001 0.000 0.199 858 K C 0.055 176.602 176.600 -0.089 0.000 1.028 858 K CA 0.509 56.744 56.287 -0.086 0.000 1.164 858 K CB 0.105 32.572 32.500 -0.056 0.000 0.877 858 K HN 0.380 nan 8.250 nan 0.000 0.508 859 A N 1.666 124.406 122.820 -0.134 0.000 3.426 859 A HA 0.133 4.453 4.320 -0.001 0.000 0.222 859 A C -0.739 176.763 177.584 -0.137 0.000 1.090 859 A CA -0.708 51.268 52.037 -0.103 0.000 1.026 859 A CB 0.068 19.023 19.000 -0.074 0.000 1.342 859 A HN 0.074 nan 8.150 nan 0.000 0.695 860 K N 1.659 121.977 120.400 -0.138 0.000 2.527 860 K HA 0.228 4.547 4.320 -0.001 0.000 0.278 860 K C -2.383 174.163 176.600 -0.090 0.000 0.981 860 K CA -0.603 55.614 56.287 -0.117 0.000 1.009 860 K CB 0.395 32.886 32.500 -0.016 0.000 0.895 860 K HN 0.372 nan 8.250 nan 0.000 0.493 861 P HA 0.129 nan 4.420 nan 0.000 0.290 861 P C -1.269 175.976 177.300 -0.090 0.000 1.276 861 P CA -0.555 62.470 63.100 -0.126 0.000 0.808 861 P CB 1.304 32.809 31.700 -0.325 0.000 0.966 862 A N 3.356 126.153 122.820 -0.038 0.000 2.404 862 A HA 0.511 4.830 4.320 -0.001 0.000 0.273 862 A C 0.373 177.946 177.584 -0.019 0.000 1.144 862 A CA -0.233 51.788 52.037 -0.028 0.000 0.806 862 A CB -0.332 18.660 19.000 -0.013 0.000 1.080 862 A HN 0.484 nan 8.150 nan 0.000 0.509 863 V N 0.344 120.240 119.914 -0.029 0.000 3.001 863 V HA 0.953 5.072 4.120 -0.001 0.000 0.314 863 V C -0.206 175.877 176.094 -0.019 0.000 1.099 863 V CA -0.370 61.920 62.300 -0.016 0.000 0.989 863 V CB 1.667 33.474 31.823 -0.026 0.000 1.040 863 V HN 1.045 nan 8.190 nan 0.000 0.434 864 S N 1.073 116.766 115.700 -0.013 0.000 2.546 864 S HA 0.864 5.333 4.470 -0.001 0.000 0.274 864 S C 0.156 174.745 174.600 -0.018 0.000 1.121 864 S CA 0.838 59.027 58.200 -0.017 0.000 0.887 864 S CB 1.199 64.390 63.200 -0.015 0.000 1.094 864 S HN 2.913 nan 8.310 nan 0.000 0.474 865 G N 2.875 111.662 108.800 -0.021 0.000 2.569 865 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.259 865 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.259 865 G C -0.315 174.571 174.900 -0.024 0.000 1.263 865 G CA 0.257 45.344 45.100 -0.022 0.000 0.928 865 G HN 0.973 nan 8.290 nan 0.000 0.572 866 E N -0.500 119.684 120.200 -0.027 0.000 2.376 866 E HA 0.422 4.772 4.350 -0.001 0.000 0.266 866 E C -0.211 176.367 176.600 -0.036 0.000 1.009 866 E CA -0.212 56.170 56.400 -0.029 0.000 0.902 866 E CB 0.556 30.236 29.700 -0.032 0.000 0.972 866 E HN 0.542 nan 8.360 nan 0.000 0.439 867 V N 4.575 124.473 119.914 -0.027 0.000 2.789 867 V HA 0.300 4.419 4.120 -0.001 0.000 0.311 867 V C -0.440 175.648 176.094 -0.011 0.000 1.073 867 V CA -0.855 61.433 62.300 -0.020 0.000 0.921 867 V CB 1.976 33.803 31.823 0.006 0.000 1.009 867 V HN 0.725 nan 8.190 nan 0.000 0.426 868 Q N 1.804 121.583 119.800 -0.034 0.000 2.399 868 Q HA 0.861 5.201 4.340 -0.001 0.000 0.276 868 Q C -1.259 174.874 176.000 0.221 0.000 1.098 868 Q CA -0.871 54.971 55.803 0.065 0.000 0.827 868 Q CB 3.029 31.806 28.738 0.066 0.000 1.386 868 Q HN 0.726 nan 8.270 nan 0.000 0.443 869 V N -1.499 118.608 119.914 0.321 0.000 3.040 869 V HA 0.889 5.009 4.120 -0.001 0.000 0.312 869 V C -0.861 175.402 176.094 0.282 0.000 1.115 869 V CA -1.030 61.486 62.300 0.360 0.000 0.998 869 V CB 2.155 34.077 31.823 0.165 0.000 1.042 869 V HN 0.960 nan 8.190 nan 0.000 0.433 870 R N 1.022 121.623 120.500 0.169 0.000 2.692 870 R HA 0.785 5.124 4.340 -0.001 0.000 0.269 870 R C -0.951 175.359 176.300 0.016 0.000 1.030 870 R CA -0.111 55.971 56.100 -0.030 0.000 0.882 870 R CB 1.707 31.780 30.300 -0.377 0.000 1.250 870 R HN 1.139 nan 8.270 nan 0.000 0.465 871 S N 0.410 116.127 115.700 0.029 0.000 2.681 871 S HA 0.696 5.165 4.470 -0.001 0.000 0.299 871 S C -0.556 174.097 174.600 0.089 0.000 1.113 871 S CA -0.706 57.532 58.200 0.064 0.000 1.013 871 S CB 2.086 65.317 63.200 0.052 0.000 1.076 871 S HN 0.576 nan 8.310 nan 0.000 0.534 872 V N 1.628 121.587 119.914 0.076 0.000 2.735 872 V HA 0.697 4.816 4.120 -0.001 0.000 0.310 872 V C 0.034 176.108 176.094 -0.033 0.000 1.061 872 V CA -0.432 61.875 62.300 0.010 0.000 0.913 872 V CB 2.099 33.966 31.823 0.073 0.000 1.005 872 V HN 1.325 nan 8.190 nan 0.000 0.428 873 S N 5.892 121.519 115.700 -0.121 0.000 2.585 873 S HA 0.358 4.827 4.470 -0.001 0.000 0.273 873 S C -1.822 172.763 174.600 -0.026 0.000 1.339 873 S CA -0.549 57.632 58.200 -0.033 0.000 1.028 873 S CB 0.908 64.047 63.200 -0.100 0.000 0.906 873 S HN 0.685 nan 8.310 nan 0.000 0.528 874 P HA -0.156 nan 4.420 nan 0.000 0.216 874 P C 0.801 178.087 177.300 -0.023 0.000 1.150 874 P CA 1.606 64.703 63.100 -0.004 0.000 0.843 874 P CB -0.197 31.500 31.700 -0.006 0.000 0.787 875 D N -1.862 118.518 120.400 -0.033 0.000 2.349 875 D HA 0.062 4.702 4.640 -0.001 0.000 0.224 875 D C 1.376 177.632 176.300 -0.073 0.000 1.029 875 D CA 0.613 54.584 54.000 -0.047 0.000 0.879 875 D CB -1.189 39.584 40.800 -0.044 0.000 0.906 875 D HN 0.223 nan 8.370 nan 0.000 0.528 876 G N 0.671 109.410 108.800 -0.102 0.000 2.155 876 G HA2 -0.399 3.560 3.960 -0.001 0.000 0.257 876 G HA3 -0.399 3.560 3.960 -0.001 0.000 0.257 876 G C 0.984 175.731 174.900 -0.254 0.000 0.983 876 G CA 0.717 45.733 45.100 -0.140 0.000 0.676 876 G HN 0.505 nan 8.290 nan 0.000 0.528 877 K N -0.862 119.373 120.400 -0.275 0.000 2.352 877 K HA 0.220 4.539 4.320 -0.001 0.000 0.194 877 K C 1.318 177.639 176.600 -0.465 0.000 1.038 877 K CA 0.210 56.320 56.287 -0.294 0.000 1.023 877 K CB 0.548 32.947 32.500 -0.169 0.000 0.840 877 K HN 0.347 nan 8.250 nan 0.000 0.519 878 R N 0.008 120.171 120.500 -0.563 0.000 2.803 878 R HA 0.436 4.775 4.340 -0.001 0.000 0.276 878 R C -1.318 174.553 176.300 -0.716 0.000 0.978 878 R CA -0.776 55.001 56.100 -0.539 0.000 0.939 878 R CB 1.357 31.449 30.300 -0.346 0.000 1.179 878 R HN -0.133 nan 8.270 nan 0.000 0.472 879 Y N -0.647 119.562 120.300 -0.150 0.000 2.545 879 Y HA 0.299 4.848 4.550 -0.001 0.000 0.348 879 Y C 0.479 176.296 175.900 -0.139 0.000 1.002 879 Y CA -0.923 57.074 58.100 -0.172 0.000 1.039 879 Y CB 2.036 40.342 38.460 -0.257 0.000 1.271 879 Y HN 0.671 nan 8.280 nan 0.000 0.467 880 S N 1.612 117.342 115.700 0.050 0.000 2.634 880 S HA 0.482 4.951 4.470 -0.001 0.000 0.261 880 S C 0.025 174.629 174.600 0.007 0.000 1.271 880 S CA -1.031 57.182 58.200 0.023 0.000 0.985 880 S CB 0.568 63.778 63.200 0.017 0.000 0.968 880 S HN 0.741 nan 8.310 nan 0.000 0.568 881 R N 0.196 120.710 120.500 0.024 0.000 2.738 881 R HA 0.559 4.898 4.340 -0.001 0.000 0.268 881 R C -0.069 176.232 176.300 0.002 0.000 1.062 881 R CA -0.298 55.809 56.100 0.012 0.000 1.158 881 R CB -0.057 30.262 30.300 0.031 0.000 1.046 881 R HN 0.724 nan 8.270 nan 0.000 0.493 882 A N 1.649 124.479 122.820 0.017 0.000 2.306 882 A HA 0.390 4.709 4.320 -0.001 0.000 0.314 882 A C -0.704 176.946 177.584 0.111 0.000 1.164 882 A CA -0.726 51.363 52.037 0.086 0.000 0.822 882 A CB 0.839 19.954 19.000 0.191 0.000 1.130 882 A HN 0.849 nan 8.150 nan 0.000 0.496 883 E N 0.810 121.087 120.200 0.128 0.000 2.367 883 E HA 0.303 4.653 4.350 -0.001 0.000 0.273 883 E C -1.180 175.473 176.600 0.089 0.000 0.903 883 E CA -0.888 55.564 56.400 0.086 0.000 0.764 883 E CB 2.217 31.948 29.700 0.051 0.000 1.252 883 E HN 0.604 nan 8.360 nan 0.000 0.446 884 K N 1.325 121.758 120.400 0.055 0.000 2.298 884 K HA 0.239 4.558 4.320 -0.001 0.000 0.280 884 K C -0.038 176.576 176.600 0.023 0.000 1.032 884 K CA -0.369 55.940 56.287 0.036 0.000 0.958 884 K CB 0.984 33.496 32.500 0.021 0.000 0.978 884 K HN 0.176 nan 8.250 nan 0.000 0.472 885 V N 0.000 119.924 119.914 0.016 0.000 2.409 885 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 885 V CA 0.000 62.300 62.300 -0.000 0.000 1.235 885 V CB 0.000 31.817 31.823 -0.010 0.000 1.184 885 V HN 0.000 nan 8.190 nan 0.000 0.556